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

Systemtic Name: methyl 3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]propionic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(S1)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC1=NN=C(S1)NC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S2/c1-17-10(16)7-8-18-12-15-14-11(19-12)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)