3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C28H27ClN2O2S MolecularWeight: 491.04418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)C(C)CC

InChI

InChI=1S/C28H27ClN2O2S/c1-4-18(3)20-10-13-23(14-11-20)31-27(33)24-15-12-22(29)16-25(24)30-28(31)34-17-26(32)21-8-6-19(5-2)7-9-21/h6-16,18H,4-5,17H2,1-3H3