[3,5-dimethyl-4-(2-quinazolin-4-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-(2-quinazolin-4-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(2-quinazolin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-quinazolin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(quinazolin-4-ylthio)acetyl]amino]phenyl] ester Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC=NC3=CC=CC=C32)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC=NC3=CC=CC=C32)C)SC#N

InChI

InChI=1S/C19H16N4OS2/c1-12-7-14(26-10-20)8-13(2)18(12)23-17(24)9-25-19-15-5-3-4-6-16(15)21-11-22-19/h3-8,11H,9H2,1-2H3,(H,23,24)