N-(2-chloranyl-5-nitro-phenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H17ClN6O3S MolecularWeight: 480.92678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CN=CC=C4

InChI

InChI=1S/C22H17ClN6O3S/c1-14-5-2-3-7-19(14)28-21(15-6-4-10-24-12-15)26-27-22(28)33-13-20(30)25-18-11-16(29(31)32)8-9-17(18)23/h2-12H,13H2,1H3,(H,25,30)