2-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-4-methyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-4-methyl-thiophene-3-carboxylic acid Openeye Name: 2-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-4-methyl-thiophene-3-carboxylic acid CAS Name: 2-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-4-methyl-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-4-methylthiophene-3-carboxylic acid Traditional Name: 2-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-4-methyl-3-thenoic acid Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C(=O)O)N2C(=NN=C2CC#N)C

Isomeric SMILES

CC1=CSC(=C1C(=O)O)N2C(=NN=C2CC#N)C

InChI

InChI=1S/C11H10N4O2S/c1-6-5-18-10(9(6)11(16)17)15-7(2)13-14-8(15)3-4-12/h5H,3H2,1-2H3,(H,16,17)