4-[4-phenyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-phenyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-phenyl-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-phenyl-1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-phenyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-phenyl-1-[[4-(2-pyridyl)piperazino]methyl]-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C24H24N6OS MolecularWeight: 444.55196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C24H24N6OS/c31-21-11-9-19(10-12-21)23-26-29(24(32)30(23)20-6-2-1-3-7-20)18-27-14-16-28(17-15-27)22-8-4-5-13-25-22/h1-13,26H,14-18H2