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

Systemtic Name: methyl 2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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