[3-methyl-4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]phenyl] ester Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

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