2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C

InChI

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