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

Systemtic Name: methyl 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CNC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C12H13N3O2S2/c1-13-11-14-15-12(19-11)18-7-8-3-5-9(6-4-8)10(16)17-2/h3-6H,7H2,1-2H3,(H,13,14)