6-chloranyl-2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C22H22ClN3O2S/c1-4-9-25-21(28)18-11-15(23)5-8-19(18)24-22(25)29-12-20(27)17-10-13(2)26(14(17)3)16-6-7-16/h4-5,8,10-11,16H,1,6-7,9,12H2,2-3H3