7-chloranyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-(2-oxocyclohexyl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[(2-oxocyclohexyl)thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[(2-ketocyclohexyl)thio]quinazolin-4-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O2S/c22-15-10-11-16-17(12-15)23-21(27-19-9-5-4-8-18(19)25)24(20(16)26)13-14-6-2-1-3-7-14/h1-3,6-7,10-12,19H,4-5,8-9,13H2