[4-[3-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[3-(5-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoylamino]phenyl] thiocyanate Openeye Name: [4-[3-(5-methyl-4-oxo-2-thioxo-thiazolidin-3-yl)propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-(5-methyl-4-oxo-2-sulfanylidene-3-thiazolidinyl)-1-oxopropyl]amino]phenyl] ester IUPAC Name: [4-[3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(4-keto-5-methyl-2-thioxo-thiazolidin-3-yl)propanoylamino]phenyl] ester Formula: C14H13N3O2S3 MolecularWeight: 351.46692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=S)S1)CCC(=O)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

CC1C(=O)N(C(=S)S1)CCC(=O)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C14H13N3O2S3/c1-9-13(19)17(14(20)22-9)7-6-12(18)16-10-2-4-11(5-3-10)21-8-15/h2-5,9H,6-7H2,1H3,(H,16,18)