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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)butanamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)butanamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)butanamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)butyramide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC)C3=CC=NC=C3

InChI

InChI=1S/C19H20N6O3S/c1-3-16(18(26)21-14-6-5-7-15(12-14)25(27)28)29-19-23-22-17(24(19)4-2)13-8-10-20-11-9-13/h5-12,16H,3-4H2,1-2H3,(H,21,26)