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

Systemtic Name: [4-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C19H20N2OS2 MolecularWeight: 356.5049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2OS2/c1-12-5-6-16(7-13(12)2)23-10-18(22)21-19-14(3)8-17(24-11-20)9-15(19)4/h5-9H,10H2,1-4H3,(H,21,22)