methyl 3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N6O3S/c1-27-17(26)15-19-18(22-21-15)20-16(25)12-10-24(11-6-3-2-4-7-11)23-14(12)13-8-5-9-28-13/h2-10H,1H3,(H2,19,20,21,22,25)