5-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[[5-oxidanidyl-6-(phenylmethyl)-1,2,4-triazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[[5-oxido-6-(phenylmethyl)-1,2,4-triazin-3-yl]thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(6-benzyl-5-oxido-1,2,4-triazin-3-yl)thio]methyl]-2-thenoate Formula: C16H11N3O3S2-2 MolecularWeight: 357.40684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC3=CC=C(S3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=N2)SCC3=CC=C(S3)C(=O)[O-])[O-]

InChI

InChI=1S/C16H13N3O3S2/c20-14-12(8-10-4-2-1-3-5-10)18-19-16(17-14)23-9-11-6-7-13(24-11)15(21)22/h1-7H,8-9H2,(H,21,22)(H,17,19,20)/p-2