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

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c1-2-10-23-17(13-6-5-7-14(11-13)24(26)27)21-22-18(23)28-12-16(25)20-15-8-3-4-9-19-15/h3-9,11H,2,10,12H2,1H3,(H,19,20,25)