4-chloranyl-5-cyano-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-5-cyano-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzenesulfonamide CAS Name: 4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-triazin-3-yl)benzenesulfonamide Formula: C29H20ClN5O2S2 MolecularWeight: 570.0844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN5O2S2/c30-24-17-25(38-19-20-10-4-1-5-11-20)26(16-23(24)18-31)39(36,37)35-29-32-27(21-12-6-2-7-13-21)28(33-34-29)22-14-8-3-9-15-22/h1-17H,19H2,(H,32,34,35)