4-[2-[(4-acetamidophenyl)methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(4-acetamidobenzyl)amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C17H16N5O2S2- MolecularWeight: 386.47124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C17H17N5O2S2/c1-11(23)19-13-6-4-12(5-7-13)9-18-15(24)10-22-16(20-21-17(22)25)14-3-2-8-26-14/h2-8H,9-10H2,1H3,(H,18,24)(H,19,23)(H,21,25)/p-1