2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)ethanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide Traditional Name: N-(5-keto-1-phenyl-3-pyrazolin-3-yl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H23N7O3S MolecularWeight: 513.57092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H23N7O3S/c1-2-36-21-12-10-19(11-13-21)32-25(18-7-6-14-27-16-18)29-30-26(32)37-17-23(34)28-22-15-24(35)33(31-22)20-8-4-3-5-9-20/h3-16,31H,2,17H2,1H3,(H,28,34)