3-(4-butylphenyl)-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-butylphenyl)-2-(2-oxidanylidenepropylsulfanyl)quinazolin-4-one Openeye Name: 2-acetonylsulfanyl-3-(4-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butylphenyl)-2-(2-oxopropylthio)-4-quinazolinone IUPAC Name: 3-(4-butylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one Traditional Name: 2-(acetonylthio)-3-(4-butylphenyl)quinazolin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C

InChI

InChI=1S/C21H22N2O2S/c1-3-4-7-16-10-12-17(13-11-16)23-20(25)18-8-5-6-9-19(18)22-21(23)26-14-15(2)24/h5-6,8-13H,3-4,7,14H2,1-2H3