3-nitro-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine

Systemtic Name: 3-nitro-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine Openeye Name: 3-nitro-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine CAS Name: 3-nitro-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]pyridine IUPAC Name: 3-nitro-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine Traditional Name: 3-nitro-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]pyridine Formula: C12H9N5O2S2 MolecularWeight: 319.36216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=NNC(=N2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=NNC(=N2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S2/c18-17(19)9-4-1-5-13-11(9)21-12-14-10(15-16-12)7-8-3-2-6-20-8/h1-6H,7H2,(H,14,15,16)