N-(4-acetamidophenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C18H20N6O2S/c1-3-16-21-22-18(24(16)23-10-4-5-11-23)27-12-17(26)20-15-8-6-14(7-9-15)19-13(2)25/h4-11H,3,12H2,1-2H3,(H,19,25)(H,20,26)