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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[4-(4-pyridylmethyl)phenyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[4-(4-pyridylmethyl)phenyl]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)NC3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

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