2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]ethanehydrazide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]ethanehydrazide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]acetohydrazide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]acetohydrazide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]acetohydrazide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N'-[1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]acetohydrazide Formula: C29H31N5O3S MolecularWeight: 529.65314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=CC1=O)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(=C1C=CC=CC1=O)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

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