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

Systemtic Name: 3-(4-ethyl-5-methyl-thiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-ethyl-5-methyl-3-thiophenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(4-ethyl-5-methylthiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C16H20N6O2S2 MolecularWeight: 392.499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2C(C)C)SCN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2C(C)C)SCN3C=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O2S2/c1-5-13-11(4)25-8-14(13)15-18-19-16(21(15)10(2)3)26-9-20-7-12(6-17-20)22(23)24/h6-8,10H,5,9H2,1-4H3