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

Systemtic Name: 4-[4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-phenyl-1-[(4-phenyl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-phenyl-1-[(4-phenylpiperazino)methyl]-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C25H25N5OS MolecularWeight: 443.5639

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=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5OS/c31-23-13-11-20(12-14-23)24-26-29(25(32)30(24)22-9-5-2-6-10-22)19-27-15-17-28(18-16-27)21-7-3-1-4-8-21/h1-14,26H,15-19H2