2-[2-[(7-methoxy-4-methyl-quinolin-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(7-methoxy-4-methyl-quinolin-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(7-methoxy-4-methyl-2-quinolyl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(7-methoxy-4-methyl-2-quinolinyl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(7-methoxy-4-methyl-2-quinolyl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H18N4O2S/c1-14-11-21(25-19-12-15(28-2)7-8-16(14)19)29-13-20-24-18-6-4-3-5-17(18)22(27)26(20)10-9-23/h3-8,11-12H,10,13H2,1-2H3