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

Systemtic Name: 5-azanylidene-6-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylidene]-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Openeye Name: 6-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methylene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one CAS Name: 6-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methylidene]-5-imino-3-(phenylmethylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one IUPAC Name: 6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Traditional Name: 6-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methylene]-3-(benzylthio)-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Formula: C26H23N5OS2 MolecularWeight: 485.62372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C3C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C3C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5

InChI

InChI=1S/C26H23N5OS2/c1-17-13-21(18(2)30(17)15-19-9-5-3-6-10-19)14-22-23(27)31-25(28-24(22)32)34-29-26(31)33-16-20-11-7-4-8-12-20/h3-14,27H,15-16H2,1-2H3