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

Systemtic Name: [3-methyl-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-(4-methylthiazol-2-yl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(4-methyl-2-thiazolyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(4-methylthiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C14H13N3OS3 MolecularWeight: 335.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC(=CS2)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC(=CS2)C

InChI

InChI=1S/C14H13N3OS3/c1-9-5-11(21-8-15)3-4-12(9)17-13(18)7-20-14-16-10(2)6-19-14/h3-6H,7H2,1-2H3,(H,17,18)