N-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C23H18N6O4S MolecularWeight: 474.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N6O4S/c1-15-6-2-3-10-19(15)28-21(17-8-5-11-24-13-17)26-27-23(28)34-14-20(30)25-22(31)16-7-4-9-18(12-16)29(32)33/h2-13H,14H2,1H3,(H,25,30,31)