[4-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(2,4-dimethylphenyl)sulfanylethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(2,4-dimethylphenyl)thio]acetyl]amino]-3-methyl-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=C2)SC#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

InChI

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