2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(cyclopentylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(cyclopentylmethyl)quinazolin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-(cyclopentylmethyl)quinazolin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-(cyclopentylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclopentylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-(cyclopentylmethyl)quinazolin-4-one Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O2S/c23-17-11-9-16(10-12-17)20(26)14-28-22-24-19-8-4-3-7-18(19)21(27)25(22)13-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13-14H2