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

Systemtic Name: 2-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[2-(5-chloro-2-thiophenyl)-2-oxoethyl]thio]-3-(3,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(5-chloro-2-thienyl)-2-keto-ethyl]thio]-3-(3,4-dimethylphenyl)quinazolin-4-one Formula: C22H17ClN2O2S2 MolecularWeight: 440.96558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(S4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(S4)Cl)C

InChI

InChI=1S/C22H17ClN2O2S2/c1-13-7-8-15(11-14(13)2)25-21(27)16-5-3-4-6-17(16)24-22(25)28-12-18(26)19-9-10-20(23)29-19/h3-11H,12H2,1-2H3