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

Systemtic Name: (6Z)-5-azanylidene-6-[(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)methylidene]-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6Z)-2-benzylsulfanyl-6-[[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6Z)-6-[[2,5-dimethyl-1-(1-naphthalenyl)-3-pyrrolyl]methylidene]-5-imino-2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6Z)-2-benzylsulfanyl-6-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6Z)-2-(benzylthio)-6-[[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C29H23N5OS2 MolecularWeight: 521.65582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C4C(=N)N5C(=NC4=O)SC(=N5)SCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)/C=C\4/C(=N)N5C(=NC4=O)SC(=N5)SCC6=CC=CC=C6

InChI

InChI=1S/C29H23N5OS2/c1-18-15-22(19(2)33(18)25-14-8-12-21-11-6-7-13-23(21)25)16-24-26(30)34-28(31-27(24)35)37-29(32-34)36-17-20-9-4-3-5-10-20/h3-16,30H,17H2,1-2H3/b24-16-,30-26?