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

Systemtic Name: 4-methyl-2-[3-methyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]thiophene-3-carboxylic acid Openeye Name: 2-(3-benzyl-5-methyl-1,2,4-triazol-4-yl)-4-methyl-thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[3-methyl-5-(phenylmethyl)-1,2,4-triazol-4-yl]-3-thiophenecarboxylic acid IUPAC Name: 2-(3-benzyl-5-methyl-1,2,4-triazol-4-yl)-4-methylthiophene-3-carboxylic acid Traditional Name: 2-(3-benzyl-5-methyl-1,2,4-triazol-4-yl)-4-methyl-3-thenoic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C(=O)O)N2C(=NN=C2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CSC(=C1C(=O)O)N2C(=NN=C2CC3=CC=CC=C3)C

InChI

InChI=1S/C16H15N3O2S/c1-10-9-22-15(14(10)16(20)21)19-11(2)17-18-13(19)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,20,21)