3-[[5-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 3-[[5-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 3-[[4-isopropyl-5-[(3R)-1-methylsulfonyl-3-piperidyl]-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[[5-[(3R)-1-methylsulfonyl-3-piperidinyl]-4-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 3-[[5-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 3-[[[4-isopropyl-5-[(3R)-1-mesyl-3-piperidyl]-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C17H25N5O2S2 MolecularWeight: 395.5427

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC2=CN=CC=C2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC(C)N1C(=NN=C1SCC2=CN=CC=C2)[C@@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C17H25N5O2S2/c1-13(2)22-16(15-7-5-9-21(11-15)26(3,23)24)19-20-17(22)25-12-14-6-4-8-18-10-14/h4,6,8,10,13,15H,5,7,9,11-12H2,1-3H3/t15-/m1/s1