N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[(4-isothiocyanatophenyl)thio]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(4-isothiocyanatophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[(4-isothiocyanatophenyl)thio]phenyl]-4-methyl-benzenesulfonamide Formula: C20H16N2O2S3 MolecularWeight: 412.54824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C20H16N2O2S3/c1-15-2-12-20(13-3-15)27(23,24)22-17-6-10-19(11-7-17)26-18-8-4-16(5-9-18)21-14-25/h2-13,22H,1H3