4-[[5-azanyl-1-(2-methylphenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-1-(2-methylphenyl)carbonyl-1,2,4-triazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-amino-1-(2-methylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-amino-1-[(2-methylphenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-amino-1-(2-methylbenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[(5-amino-1-o-toluoyl-1,2,4-triazol-3-yl)amino]benzenesulfonamide Formula: C16H16N6O3S MolecularWeight: 372.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N

InChI

InChI=1S/C16H16N6O3S/c1-10-4-2-3-5-13(10)14(23)22-15(17)20-16(21-22)19-11-6-8-12(9-7-11)26(18,24)25/h2-9H,1H3,(H2,18,24,25)(H3,17,19,20,21)