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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-5-nitropyridine IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C13H11N5O2S2 MolecularWeight: 333.38874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C13H11N5O2S2/c1-17-11(7-10-3-2-6-21-10)15-16-13(17)22-12-5-4-9(8-14-12)18(19)20/h2-6,8H,7H2,1H3