3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide

Systemtic Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C27H22N6O2S MolecularWeight: 494.56758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N6O2S/c34-23(28-22-18-24(35)33(32-22)21-14-8-3-9-15-21)16-17-36-27-29-25(19-10-4-1-5-11-19)26(30-31-27)20-12-6-2-7-13-20/h1-15,18,32H,16-17H2,(H,28,34)