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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl)C

InChI

InChI=1S/C26H26ClN3O3S/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/h6-11,13-14H,5,12,15H2,1-4H3