N-(6-methylpyridin-2-yl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-methylpyridin-2-yl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(6-methyl-2-pyridyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-methyl-2-pyridinyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(6-methylpyridin-2-yl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(6-methyl-2-pyridyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3S/c1-15-7-5-12-19(23-15)24-20(29)14-32-22-26-25-21(27(22)17-9-3-2-4-10-17)16-8-6-11-18(13-16)28(30)31/h2-13H,14H2,1H3,(H,23,24,29)