2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propyl]ethanehydrazide

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propyl]ethanehydrazide Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)propyl]acetohydrazide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-N'-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)propyl]acetohydrazide IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)propyl]acetohydrazide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]thio]-N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)propyl]acetohydrazide Formula: C27H28N5O4S+ MolecularWeight: 518.60732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=CC(=O)C=C1)NNC(=O)CSC2=NNC(=[N+]2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(=C1C=CC(=O)C=C1)NNC(=O)CSC2=NNC(=[N+]2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27N5O4S/c1-4-22(18-10-13-21(33)14-11-18)28-29-25(34)17-37-27-31-30-26(32(27)20-8-6-5-7-9-20)19-12-15-23(35-2)24(16-19)36-3/h5-16H,4,17H2,1-3H3,(H2,28,29,33,34)/p+1