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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-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-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-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]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H24ClN3O3S/c1-5-12-29-16(2)13-20(17(29)3)23(31)15-34-26-28-22-9-7-6-8-19(22)25(32)30(26)18-10-11-24(33-4)21(27)14-18/h5-11,13-14H,1,12,15H2,2-4H3