3-(1-benzothiophen-3-yl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1-benzothiophen-3-yl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzothiophen-3-yl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-benzothiophen-3-yl)-4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzothiophen-3-yl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzothiophen-3-yl)-4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C16H14N6O2S2 MolecularWeight: 386.45136

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CSC4=CC=CC=C43

Isomeric SMILES

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CSC4=CC=CC=C43

InChI

InChI=1S/C16H14N6O2S2/c1-2-21-15(13-9-25-14-6-4-3-5-12(13)14)18-19-16(21)26-10-20-8-11(7-17-20)22(23)24/h3-9H,2,10H2,1H3