2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]-1H-quinazolin-4-one Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H25N3O3S/c1-16-14-21(17(2)28(16)13-12-18-8-10-19(31-3)11-9-18)23(29)15-32-25-26-22-7-5-4-6-20(22)24(30)27-25/h4-11,14H,12-13,15H2,1-3H3,(H,26,27,30)