(4-acetamidophenyl) 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: (4-acetamidophenyl) 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: (4-acetamidophenyl) 2-(1-phenyltetrazol-5-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-(1-phenyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]acetic acid (4-acetamidophenyl) ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-12(23)18-13-7-9-15(10-8-13)25-16(24)11-26-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,23)