methyl 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CS2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CS2)C(=O)OC

InChI

InChI=1S/C12H14N4O3S2/c1-7-14-15-12(16(7)2)21-6-9(17)13-10-8(4-5-20-10)11(18)19-3/h4-5H,6H2,1-3H3,(H,13,17)