(6E)-5-azanylidene-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2-heptyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2-heptyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-[(4-chlorophenyl)methyl]-3-indolyl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-6-[[1-(4-chlorobenzyl)indol-3-yl]methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C28H28ClN5OS MolecularWeight: 518.07282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN2C(=N)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)C(=O)N=C2S1

Isomeric SMILES

CCCCCCCC1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)/C(=O)N=C2S1

InChI

InChI=1S/C28H28ClN5OS/c1-2-3-4-5-6-11-25-32-34-26(30)23(27(35)31-28(34)36-25)16-20-18-33(24-10-8-7-9-22(20)24)17-19-12-14-21(29)15-13-19/h7-10,12-16,18,30H,2-6,11,17H2,1H3/b23-16+,30-26?