5-azanylidene-2-(2-chlorophenyl)-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-2-(2-chlorophenyl)-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-(2-chlorophenyl)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(2-chlorophenyl)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-(2-chlorophenyl)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(2-chlorophenyl)-5-imino-6-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C25H20ClN5O2S MolecularWeight: 489.9766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H20ClN5O2S/c1-14-12-16(15(2)30(14)17-8-10-18(33-3)11-9-17)13-20-22(27)31-25(28-23(20)32)34-24(29-31)19-6-4-5-7-21(19)26/h4-13,27H,1-3H3