7-chloranyl-3-(3-methylbutyl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-(phenacylthio)quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O2S/c1-14(2)10-11-24-20(26)17-9-8-16(22)12-18(17)23-21(24)27-13-19(25)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3