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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-pyridine CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitropyridine IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitro-pyridine Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O2S/c1-2-10-5-7-11(8-6-10)13-17-15(19-18-13)23-14-12(20(21)22)4-3-9-16-14/h3-9H,2H2,1H3,(H,17,18,19)