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

Systemtic Name: 7-chloranyl-3-(4-chlorophenyl)-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(4-chlorophenyl)quinazolin-4-one CAS Name: 7-chloro-3-(4-chlorophenyl)-2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(4-chlorophenyl)-2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-7-chloro-3-(4-chlorophenyl)quinazolin-4-one Formula: C25H21Cl2N3O2S MolecularWeight: 498.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21Cl2N3O2S/c1-4-11-29-15(2)12-21(16(29)3)23(31)14-33-25-28-22-13-18(27)7-10-20(22)24(32)30(25)19-8-5-17(26)6-9-19/h4-10,12-13H,1,11,14H2,2-3H3