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

Systemtic Name: N-(5-nitropyridin-2-yl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitro-2-pyridyl)acetamide CAS Name: N-(5-nitro-2-pyridinyl)-2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-nitropyridin-2-yl)acetamide Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]-N-(5-nitro-2-pyridyl)acetamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20N6O3S/c1-2-10-24-17(11-14-6-4-3-5-7-14)22-23-19(24)29-13-18(26)21-16-9-8-15(12-20-16)25(27)28/h3-9,12H,2,10-11,13H2,1H3,(H,20,21,26)