4-chloranyl-2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 4-chloro-2,5-dimethyl-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-chloro-2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-chloro-2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 4-chloro-2,5-dimethyl-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

InChI

InChI=1S/C18H19ClN4O2S/c1-12-5-4-6-15(7-12)10-23-11-20-18(21-23)22-26(24,25)17-9-13(2)16(19)8-14(17)3/h4-9,11H,10H2,1-3H3,(H,21,22)