5-[[(3-methylphenyl)carbonylamino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(3-methylphenyl)carbonylamino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(3-methylbenzoyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(3-methylbenzoyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(m-toluoylamino)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C17H15N4OS- MolecularWeight: 323.3922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C17H16N4OS/c1-12-6-5-7-13(10-12)16(22)18-11-15-19-20-17(23)21(15)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,18,22)(H,20,23)/p-1