[4-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-chlorobenzyl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C17H15ClN2OS2 MolecularWeight: 362.8968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2OS2/c1-12-8-15(23-11-19)6-7-16(12)20-17(21)10-22-9-13-2-4-14(18)5-3-13/h2-8H,9-10H2,1H3,(H,20,21)