[3,5-dimethyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(o-tolylmethylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(2-methylbenzyl)thio]acetyl]amino]phenyl] ester Formula: C19H20N2OS2 MolecularWeight: 356.5049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2C)SC#N)C

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2C)SC#N)C

InChI

InChI=1S/C19H20N2OS2/c1-13-6-4-5-7-16(13)10-23-11-18(22)21-19-14(2)8-17(24-12-20)9-15(19)3/h4-9H,10-11H2,1-3H3,(H,21,22)