3-(3-chloranyl-4-methyl-phenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-methylphenyl)-2-[(3-phenoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methylphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-2-[(3-phenoxybenzyl)thio]quinazolin-4-one Formula: C28H21ClN2O2S MolecularWeight: 484.99654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H21ClN2O2S/c1-19-14-15-21(17-25(19)29)31-27(32)24-12-5-6-13-26(24)30-28(31)34-18-20-8-7-11-23(16-20)33-22-9-3-2-4-10-22/h2-17H,18H2,1H3