3-nitro-2-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine

Systemtic Name: 3-nitro-2-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine Openeye Name: 3-nitro-2-[4-(2-pyridylsulfanyl)-1-piperidyl]-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine CAS Name: 3-nitro-2-[4-(2-pyridinylthio)-1-piperidinyl]-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine IUPAC Name: 3-nitro-2-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine Traditional Name: 3-nitro-2-[4-(2-pyridylthio)piperidino]-6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine Formula: C23H21N7O3S MolecularWeight: 475.52294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=N2)C3=C(C=CC(=N3)OC4=CC=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=N2)C3=C(C=CC(=N3)OC4=CC=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O3S/c31-30(32)20-8-9-21(33-18-6-4-17(5-7-18)29-16-24-15-26-29)27-23(20)28-13-10-19(11-14-28)34-22-3-1-2-12-25-22/h1-9,12,15-16,19H,10-11,13-14H2