4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[phenyl(2-pyridyl)methyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[phenyl(2-pyridinyl)methyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[phenyl(pyridin-2-yl)methyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[phenyl(2-pyridyl)methyl]benzamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

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