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

Systemtic Name: 7-chloranyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21ClN2O2S/c1-4-9-24-20(26)16-8-7-15(22)11-18(16)23-21(24)27-12-19(25)17-10-13(2)5-6-14(17)3/h5-8,10-11H,4,9,12H2,1-3H3