3-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide

Systemtic Name: 3-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)propionamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3S/c29-20(24-19-11-4-5-13-23-19)12-14-32-22-26-25-21(27(22)17-8-2-1-3-9-17)16-7-6-10-18(15-16)28(30)31/h1-11,13,15H,12,14H2,(H,23,24,29)