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

Systemtic Name: [3-methyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-(o-tolylmethylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(2-methylbenzyl)thio]acetyl]amino]phenyl] ester Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C18H18N2OS2/c1-13-5-3-4-6-15(13)10-22-11-18(21)20-17-8-7-16(23-12-19)9-14(17)2/h3-9H,10-11H2,1-2H3,(H,20,21)