2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C18H15N3OS/c1-13-6-8-14(9-7-13)12-21-17(22)15-4-2-3-5-16(15)20-18(21)23-11-10-19/h2-9H,11-12H2,1H3