2-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(5-cyclohexyl-5-methyl-4-oxidanylidene-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetonitrile IUPAC Name: 2-[(5-cyclohexyl-5-methyl-4-oxo-1,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-cyclohexyl-4-keto-5-methyl-1,6-dihydrobenzo[h]quinazolin-2-yl)thio]acetonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC#N)C4CCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC#N)C4CCCCC4

InChI

InChI=1S/C21H23N3OS/c1-21(15-8-3-2-4-9-15)13-14-7-5-6-10-16(14)18-17(21)19(25)24-20(23-18)26-12-11-22/h5-7,10,15H,2-4,8-9,12-13H2,1H3,(H,23,24,25)