5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

Systemtic Name: 5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine Openeye Name: 5-nitro-6-[4-(2-pyridylsulfanyl)-1-piperidyl]-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine CAS Name: 5-nitro-6-[4-(2-pyridinylthio)-1-piperidinyl]-N-[4-(1,2,4-triazol-1-yl)phenyl]-2-pyridinamine IUPAC Name: 5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine Traditional Name: [5-nitro-6-[4-(2-pyridylthio)piperidino]-2-pyridyl]-[4-(1,2,4-triazol-1-yl)phenyl]amine Formula: C23H22N8O2S MolecularWeight: 474.53818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=N2)C3=C(C=CC(=N3)NC4=CC=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=N2)C3=C(C=CC(=N3)NC4=CC=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N8O2S/c32-31(33)20-8-9-21(27-17-4-6-18(7-5-17)30-16-24-15-26-30)28-23(20)29-13-10-19(11-14-29)34-22-3-1-2-12-25-22/h1-9,12,15-16,19H,10-11,13-14H2,(H,27,28)