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

Systemtic Name: N-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[2-[[4-(o-tolyl)-5-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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