2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-quinazolin-4-one CAS Name: 2-[[2-(4-butylphenyl)-2-oxoethyl]thio]-3-methyl-4-quinazolinone IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one Traditional Name: 2-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-3-methyl-quinazolin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

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