5-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2-thenoic acid Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C14H18N4O2S2/c15-18-12(9-4-2-1-3-5-9)16-17-14(18)21-8-10-6-7-11(22-10)13(19)20/h6-7,9H,1-5,8,15H2,(H,19,20)