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

Systemtic Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(4-acetamidobenzyl)amino]-2-keto-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C16H20N5O2S- MolecularWeight: 346.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NCC2=CC=C(C=C2)NC(=O)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NCC2=CC=C(C=C2)NC(=O)C)[S-]

InChI

InChI=1S/C16H21N5O2S/c1-3-4-14-19-20-16(24)21(14)10-15(23)17-9-12-5-7-13(8-6-12)18-11(2)22/h5-8H,3-4,9-10H2,1-2H3,(H,17,23)(H,18,22)(H,20,24)/p-1