4-[(4-phenyl-5-sulfanidyl-1,2,4-triazol-3-yl)methoxy]benzoate

Systemtic Name: 4-[(4-phenyl-5-sulfanidyl-1,2,4-triazol-3-yl)methoxy]benzoate Openeye Name: 4-[(4-phenyl-5-sulfido-1,2,4-triazol-3-yl)methoxy]benzoate CAS Name: 4-[(4-phenyl-5-sulfido-1,2,4-triazol-3-yl)methoxy]benzoate IUPAC Name: 4-[(4-phenyl-5-sulfido-1,2,4-triazol-3-yl)methoxy]benzoate Traditional Name: 4-[(4-phenyl-5-sulfido-1,2,4-triazol-3-yl)methoxy]benzoate Formula: C16H11N3O3S-2 MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c20-15(21)11-6-8-13(9-7-11)22-10-14-17-18-16(23)19(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,23)(H,20,21)/p-2