phenyl 4-(5-sulfanylidene-1H-1,2,3,4-tetrazol-2-yl)benzoate

Systemtic Name: phenyl 4-(5-sulfanylidene-1H-1,2,3,4-tetrazol-2-yl)benzoate Openeye Name: phenyl 4-(5-thioxo-1H-tetrazol-2-yl)benzoate CAS Name: 4-(5-sulfanylidene-1H-tetrazol-2-yl)benzoic acid phenyl ester IUPAC Name: phenyl 4-(5-sulfanylidene-1H-tetrazol-2-yl)benzoate Traditional Name: 4-(5-thioxo-1H-tetrazol-2-yl)benzoic acid phenyl ester Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3NC(=S)N=N3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3NC(=S)N=N3

InChI

InChI=1S/C14H10N4O2S/c19-13(20-12-4-2-1-3-5-12)10-6-8-11(9-7-10)18-16-14(21)15-17-18/h1-9H,(H,16,21)