[(3S)-3-methylpiperidin-1-yl]-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-yl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofuranyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzofuran-2-yl]methanone Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C18H20N4O2S/c1-12-5-4-8-22(9-12)17(23)16-14(10-25-18-19-11-20-21-18)13-6-2-3-7-15(13)24-16/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,19,20,21)/t12-/m0/s1