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

Systemtic Name: (6Z)-5-azanylidene-6-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-2-benzylsulfanyl-6-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[1-(4-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-2-benzylsulfanyl-6-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-2-(benzylthio)-6-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C27H25N5OS2 MolecularWeight: 499.6503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5)C

InChI

InChI=1S/C27H25N5OS2/c1-4-19-10-12-22(13-11-19)31-17(2)14-21(18(31)3)15-23-24(28)32-26(29-25(23)33)35-27(30-32)34-16-20-8-6-5-7-9-20/h5-15,28H,4,16H2,1-3H3/b23-15-,28-24?