[3-methyl-4-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[(2-benzylsulfanylbenzoyl)amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[oxo-[2-(phenylmethylthio)phenyl]methyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanylbenzoyl)amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(benzylthio)benzoyl]amino]-3-methyl-phenyl] ester Formula: C22H18N2OS2 MolecularWeight: 390.52112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C22H18N2OS2/c1-16-13-18(27-15-23)11-12-20(16)24-22(25)19-9-5-6-10-21(19)26-14-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,25)