4-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(4-methoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(4-methoxy-4-oxo-butyl)amino]-2-oxo-ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[(4-keto-4-methoxy-butyl)amino]ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C16H19N4O3S- MolecularWeight: 347.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCCCC(=O)OC)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCCCC(=O)OC)[S-]

InChI

InChI=1S/C16H20N4O3S/c1-11-5-7-12(8-6-11)15-18-19-16(24)20(15)10-13(21)17-9-3-4-14(22)23-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)(H,19,24)/p-1