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

Systemtic Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=C(C3=C(S2)CCCC3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C18H17N3O2S/c1-11-19-20-16(12-7-3-2-4-8-12)21(11)17-15(18(22)23)13-9-5-6-10-14(13)24-17/h2-4,7-8H,5-6,9-10H2,1H3,(H,22,23)