[4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-chloro-5-(methylthio)benzoyl]amino]-3-methyl-phenyl] ester Formula: C16H13ClN2OS2 MolecularWeight: 348.87022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2OS2/c1-10-7-12(22-9-18)4-6-15(10)19-16(20)13-8-11(21-2)3-5-14(13)17/h3-8H,1-2H3,(H,19,20)