ethyl 3-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C17H17N5O3S2/c1-2-25-15(24)14-11(8-12(27-14)10-6-4-3-5-7-10)19-13(23)9-26-17-20-16(18)21-22-17/h3-8H,2,9H2,1H3,(H,19,23)(H3,18,20,21,22)