4-[2-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[5-oxido-6-(phenylmethyl)-1,2,4-triazin-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)thio]ethoxy]benzoate Formula: C19H15N3O4S-2 MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCCOC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C19H17N3O4S/c23-17-16(12-13-4-2-1-3-5-13)21-22-19(20-17)27-11-10-26-15-8-6-14(7-9-15)18(24)25/h1-9H,10-12H2,(H,24,25)(H,20,22,23)/p-2