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

Systemtic Name: [3,5-dimethyl-4-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(p-tolylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(p-tolylthio)acetyl]amino]phenyl] ester Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2C)SC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2C)SC#N)C

InChI

InChI=1S/C18H18N2OS2/c1-12-4-6-15(7-5-12)22-10-17(21)20-18-13(2)8-16(23-11-19)9-14(18)3/h4-9H,10H2,1-3H3,(H,20,21)