2-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H20ClN3OS/c23-17-10-11-19-20(12-17)25-22(26(21(19)27)18-8-2-1-3-9-18)28-14-16-7-5-4-6-15(16)13-24/h4-7,10-12,18H,1-3,8-9,14H2