5-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(5-cyclohexyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thenoate Formula: C14H16N3O2S2- MolecularWeight: 322.42574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2)SCC3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2)SCC3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C14H17N3O2S2/c18-13(19)11-7-6-10(21-11)8-20-14-15-12(16-17-14)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,18,19)(H,15,16,17)/p-1