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N-[(E)-amino(1,3-benzoxazol-2-ylimino)methyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 24BuoGS2eZx
InChI InChI=1S/C17H10ClN5O4S/c18-13-9-6-5-8(23(25)26)7-12(9)28-14(13)15(24)21-16(19)22-17-20-10-3-1-2-4-11(10)27-17/h1-7H,(H3,19,20,21,22,24)
InChIKey XHXNTLSRSSPPOJ-UHFFFAOYSA-N
Mol Weight 415.81 g/mol
Molecular Formula C17H10ClN5O4S
Exact Mass 415.014203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQGdzoVnXDE
Name N-[(E)-amino(1,3-benzoxazol-2-ylimino)methyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide
Alternate Name(s) N-[(E)-N'-(1,3-benzoxazol-2-yl)amidino]-3-chloro-6-nitro-benzothiophene-2-carboxamide N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloranyl-6-nitro-1-benzothiophene-2-carboxamide N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-6-nitro-benzothiophene-2-carboxamide N-[amino(1,3-benzoxazol-2-ylimino)methyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide N-[N'-(1,3-benzoxazol-2-yl)amidino]-3-chloro-6-nitro-benzothiophene-2-carboxamide N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloranyl-6-nitro-1-benzothiophene-2-carboxamide N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-6-nitro-benzothiophene-2-carboxamide
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Formula C17H10ClN5O4S
InChI InChI=1S/C17H10ClN5O4S/c18-13-9-6-5-8(23(25)26)7-12(9)28-14(13)15(24)21-16(19)22-17-20-10-3-1-2-4-11(10)27-17/h1-7H,(H3,19,20,21,22,24)
InChIKey XHXNTLSRSSPPOJ-UHFFFAOYSA-N
Molecular Weight 415.811 g/mol
SMILES N(c1nc2ccccc2o1)\C(=N\C(c1sc2cc(N(=O)=O)ccc2c1Cl)=O)N
SPLASH splash10-015c-9712300000-ca71f6185e5f9468c668
Wiley ID 1457728