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

Systemtic Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(4-acetamidobenzyl)amino]-2-keto-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C20H20N5O2S- MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)NCC3=CC=C(C=C3)NC(=O)C)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)NCC3=CC=C(C=C3)NC(=O)C)[S-]

InChI

InChI=1S/C20H21N5O2S/c1-13-4-3-5-16(10-13)19-23-24-20(28)25(19)12-18(27)21-11-15-6-8-17(9-7-15)22-14(2)26/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,26)(H,24,28)/p-1