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

Systemtic Name: [3-methyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3-methyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]phenyl] ester Formula: C16H12N4OS3 MolecularWeight: 372.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H12N4OS3/c1-10-6-11(24-8-17)2-3-13(10)20-14(21)7-23-16-12-4-5-22-15(12)18-9-19-16/h2-6,9H,7H2,1H3,(H,20,21)