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

Systemtic Name: 3-(1-benzothiophen-3-yl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzothiophen-3-yl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1-benzothiophen-3-yl)-4-methyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzothiophen-3-yl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzothiophen-3-yl)-4-methyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C15H12N6O2S2 MolecularWeight: 372.42478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CSC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C3=CSC4=CC=CC=C43

InChI

InChI=1S/C15H12N6O2S2/c1-19-14(12-8-24-13-5-3-2-4-11(12)13)17-18-15(19)25-9-20-7-10(6-16-20)21(22)23/h2-8H,9H2,1H3