2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]ethanehydrazide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]ethanehydrazide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetohydrazide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]-N'-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]acetohydrazide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetohydrazide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]-N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]acetohydrazide Formula: C29H32N5O3S+ MolecularWeight: 530.66108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O3S/c1-19(20-8-14-24(35)15-9-20)30-31-26(36)18-38-28-33-32-27(21-6-10-22(11-7-21)29(2,3)4)34(28)23-12-16-25(37-5)17-13-23/h6-17H,18H2,1-5H3,(H2,30,31,35,36)/p+1