3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: 3-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylate IUPAC Name: 3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylate Formula: C21H22FN4O2S2- MolecularWeight: 445.553383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=C(SC5=CC=CC(=C54)F)C(=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=C(SC5=CC=CC(=C54)F)C(=O)[O-]

InChI

InChI=1S/C21H23FN4O2S2/c1-12-7-9-25(10-8-12)20-23-24-21(26(20)13-5-6-13)29-11-14-17-15(22)3-2-4-16(17)30-18(14)19(27)28/h2-4,12-13H,5-11H2,1H3,(H,27,28)/p-1