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

Systemtic Name: 4-[[4-[4-(3-methoxypropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methoxy]benzoate Openeye Name: 4-[[4-[4-(3-methoxypropyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenyl]methoxy]benzoate CAS Name: 4-[[4-[4-(3-methoxypropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methoxy]benzoate IUPAC Name: 4-[[4-[4-(3-methoxypropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methoxy]benzoate Traditional Name: 4-[4-[4-(3-methoxypropyl)-5-thioxo-1H-1,2,4-triazol-3-yl]benzyl]oxybenzoate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COCCCN1C(=NNC1=S)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-26-12-2-11-23-18(21-22-20(23)28)15-5-3-14(4-6-15)13-27-17-9-7-16(8-10-17)19(24)25/h3-10H,2,11-13H2,1H3,(H,22,28)(H,24,25)/p-1