2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)C)C

InChI

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