4-chloranyl-N-(5,7-dimethyl-1H-1,2,4-triazepin-3-yl)-5-methyl-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(5,7-dimethyl-1H-1,2,4-triazepin-3-yl)-5-methyl-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-N-(5,7-dimethyl-1H-1,2,4-triazepin-3-yl)-5-methyl-benzenesulfonamide CAS Name: 4-chloro-N-(5,7-dimethyl-1H-1,2,4-triazepin-3-yl)-5-methyl-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-N-(5,7-dimethyl-1H-1,2,4-triazepin-3-yl)-5-methylbenzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-N-(5,7-dimethyl-1H-1,2,4-triazepin-3-yl)-5-methyl-benzenesulfonamide Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NNC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NNC(=CC(=N3)C)C

InChI

InChI=1S/C20H21ClN4O2S2/c1-13-9-19(18(11-17(13)21)28-12-16-7-5-4-6-8-16)29(26,27)25-20-22-14(2)10-15(3)23-24-20/h4-11,23H,12H2,1-3H3,(H,24,25)