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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]ethyl ester IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]ethyl ester Formula: C11H11N3O2S2 MolecularWeight: 281.35394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NN=C(S2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NN=C(S2)N

InChI

InChI=1S/C11H11N3O2S2/c12-10-13-14-11(18-10)17-7-6-16-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13)