7-chloranyl-3-(3-methoxypropyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methoxypropyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(3-methoxypropyl)-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(3-methoxypropyl)-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methoxypropyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-keto-2-(p-tolyl)ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC

InChI

InChI=1S/C21H21ClN2O3S/c1-14-4-6-15(7-5-14)19(25)13-28-21-23-18-12-16(22)8-9-17(18)20(26)24(21)10-3-11-27-2/h4-9,12H,3,10-11,13H2,1-2H3