methyl 4-[[5-(pyridin-4-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(pyridin-4-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(pyridine-4-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo(pyridin-4-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(pyridine-4-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(5-isonicotinamido-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H14N4O3S2/c1-24-15(23)13-4-2-11(3-5-13)10-25-17-21-20-16(26-17)19-14(22)12-6-8-18-9-7-12/h2-9H,10H2,1H3,(H,19,20,22)