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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]ethyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NNC(=N2)N

InChI

InChI=1S/C11H12N4O2S/c12-10-13-11(15-14-10)18-7-6-17-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,12,13,14,15)