methyl 4-[[5-[(3-methoxy-1-methyl-pyrazol-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(3-methoxy-1-methyl-pyrazol-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-methoxy-1-methyl-pyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-methoxy-1-methyl-4-pyrazolyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(3-methoxy-1-methyl-pyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)OC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H17N5O4S2/c1-22-8-12(14(21-22)25-2)13(23)18-16-19-20-17(28-16)27-9-10-4-6-11(7-5-10)15(24)26-3/h4-8H,9H2,1-3H3,(H,18,19,23)