[3,5-dimethyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]phenyl] ester Formula: C17H14N4OS3 MolecularWeight: 386.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC=NC3=C2C=CS3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC=NC3=C2C=CS3)C)SC#N

InChI

InChI=1S/C17H14N4OS3/c1-10-5-12(25-8-18)6-11(2)15(10)21-14(22)7-24-17-13-3-4-23-16(13)19-9-20-17/h3-6,9H,7H2,1-2H3,(H,21,22)