3-nitro-4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 3-nitro-4-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c23-21(29)16-9-10-17(19(13-16)28(30)31)15-32-22-25-24-20(14-26-11-5-2-6-12-26)27(22)18-7-3-1-4-8-18/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H2,23,29)