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

Systemtic Name: methyl 4-[[5-[(3-ethoxy-1-ethyl-pyrazol-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-ethoxy-1-ethyl-pyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-ethoxy-1-ethyl-4-pyrazolyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-ethoxy-1-ethylpyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(3-ethoxy-1-ethyl-pyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H21N5O4S2 MolecularWeight: 447.53114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H21N5O4S2/c1-4-24-10-14(16(23-24)28-5-2)15(25)20-18-21-22-19(30-18)29-11-12-6-8-13(9-7-12)17(26)27-3/h6-10H,4-5,11H2,1-3H3,(H,20,21,25)