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

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O3S/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/h2-9,11H,1,10,12H2,(H,19,20,25)