[3,5-dimethyl-4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]phenyl] ester Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS2/c1-12-8-15(27-11-21)9-13(2)19(12)24-18(25)10-26-20-16-6-4-5-7-17(16)22-14(3)23-20/h4-9H,10H2,1-3H3,(H,24,25)