[3,5-dimethyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C20H17N3OS3 MolecularWeight: 411.56348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C)SC#N

InChI

InChI=1S/C20H17N3OS3/c1-13-8-16(27-12-21)9-14(2)19(13)23-18(24)11-26-20-22-17(10-25-20)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,23,24)