2-(3,5-dimethyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(3,5-dimethyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C

Isomeric SMILES

CC1=NN=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C

InChI

InChI=1S/C13H15N3O2S/c1-7-14-15-8(2)16(7)12-11(13(17)18)9-5-3-4-6-10(9)19-12/h3-6H2,1-2H3,(H,17,18)