2-[[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H16ClN3OS MolecularWeight: 417.91064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H16ClN3OS/c1-15-19(24)10-6-12-21(15)27-22(28)18-9-4-5-11-20(18)26-23(27)29-14-17-8-3-2-7-16(17)13-25/h2-12H,14H2,1H3