5-[[3-(2-amino-4,5-dimethyl-phenyl)-5-carbethoxy-triazol-4-yl]thio]thiadiazole-4-carboxylic acid ethyl ester

SpectraBase Compound ID	AGVmWWIAyJ8
InChI	InChI=1S/C18H20N6O4S2/c1-5-27-16(25)13-15(29-18-14(21-23-30-18)17(26)28-6-2)24(22-20-13)12-8-10(4)9(3)7-11(12)19/h7-8H,5-6,19H2,1-4H3
InChIKey	AWRCSSPLTJLTST-UHFFFAOYSA-N Google Search
Mol Weight	448.52 g/mol
Molecular Formula	C18H20N6O4S2
Exact Mass	448.098745 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	MXZ8fIunyG
Name	5-[[3-(2-amino-4,5-dimethyl-phenyl)-5-carbethoxy-triazol-4-yl]thio]thiadiazole-4-carboxylic acid ethyl ester
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20N6O4S2
InChI	InChI=1S/C18H20N6O4S2/c1-5-27-16(25)13-15(29-18-14(21-23-30-18)17(26)28-6-2)24(22-20-13)12-8-10(4)9(3)7-11(12)19/h7-8H,5-6,19H2,1-4H3
InChIKey	AWRCSSPLTJLTST-UHFFFAOYSA-N
Molecular Weight	448.516 g/mol
SMILES	Nc1c(-[n]2nnc(c2Sc2snnc2C(=O)OCC)C(=O)OCC)cc(c(c1)C)C
SPLASH	splash10-000i-0900100000-6429f0316f1161edf303
Source of Spectrum	K-2002-1578-5
Synonyms	5-[[3-(2-amino-4,5-dimethylphenyl)-5-ethoxycarbonyl-4-triazolyl]thio]-4-thiadiazolecarboxylic acid ethyl ester ethyl 5-[3-(2-amino-4,5-dimethyl-phenyl)-5-ethoxycarbonyl-triazol-4-yl]sulfanylthiadiazole-4-carboxylate ethyl 5-[[3-(2-azanyl-4,5-dimethyl-phenyl)-5-ethoxycarbonyl-1,2,3-triazol-4-yl]sulfanyl]-1,2,3-thiadiazole-4-carboxylate
Wiley ID	1612809