ethyl 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N

InChI

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