7-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-(m-tolyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(m-tolyl)quinazolin-4-one Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H22ClN3O2S/c1-17-5-4-8-21(13-17)30-25(32)22-10-9-20(27)14-23(22)28-26(30)33-16-24(31)29-12-11-18-6-2-3-7-19(18)15-29/h2-10,13-14H,11-12,15-16H2,1H3