1H-pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]carbonyl]phenyl ester

SpectraBase Compound ID	GTjl6ZGO1vV
InChI	InChI=1S/C21H18N4O3S/c1-25-11-10-17(24-25)21(27)28-14-8-6-13(7-9-14)19(26)23-20-16(12-22)15-4-2-3-5-18(15)29-20/h6-11H,2-5H2,1H3,(H,23,26)
InChIKey	HEGRFGTYGNEFSG-UHFFFAOYSA-N Google Search
Mol Weight	406.46 g/mol
Molecular Formula	C21H18N4O3S
Exact Mass	406.109962 g/mol

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SpectraBase Spectrum ID	Ids4RECVanP
Name	1H-pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]carbonyl]phenyl ester
Alternate Name(s)	1-Methyl-3-pyrazolecarboxylic acid[4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]phenyl]ester 1-Methylpyrazole-3-carboxylic acid[4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl]ester 4-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]1-methylpyrazole-3-carboxylate [4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl]1-methylpyrazole-3-carboxylate 1-Methyl-3-pyrazolecarboxylic acid [4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]phenyl] ester [4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate
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Formula	C21H18N4O3S
InChI	InChI=1S/C21H18N4O3S/c1-25-11-10-17(24-25)21(27)28-14-8-6-13(7-9-14)19(26)23-20-16(12-22)15-4-2-3-5-18(15)29-20/h6-11H,2-5H2,1H3,(H,23,26)
InChIKey	HEGRFGTYGNEFSG-UHFFFAOYSA-N
Molecular Weight	406.460 g/mol
SMILES	N(c1c(c2CCCCc2s1)C#N)C(c1ccc(OC(c2n[n](C)cc2)=O)cc1)=O
SPLASH	splash10-0a4i-6920000000-8f7cdff67040d7d1de6f
Wiley ID	1512354