methyl 3-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-4-nitro-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-4-nitro-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-4-nitro-1H-pyrazole-5-carboxylate CAS Name: 3-[[4-methyl-5-[(3-methyl-1-pyrazolyl)methyl]-1,2,4-triazol-3-yl]thio]-4-nitro-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-4-nitro-1H-pyrazole-5-carboxylate Traditional Name: 3-[[4-methyl-5-[(3-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-4-nitro-1H-pyrazole-5-carboxylic acid methyl ester Formula: C13H14N8O4S MolecularWeight: 378.36646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC2=NN=C(N2C)SC3=NNC(=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NN(C=C1)CC2=NN=C(N2C)SC3=NNC(=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N8O4S/c1-7-4-5-20(18-7)6-8-14-17-13(19(8)2)26-11-10(21(23)24)9(15-16-11)12(22)25-3/h4-5H,6H2,1-3H3,(H,15,16)