methyl 3-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]propionic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCCC(=O)OC

InChI

InChI=1S/C13H15N3O2S2/c1-9-4-3-5-10(8-9)14-12-15-16-13(20-12)19-7-6-11(17)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,15)