(2R)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide

Systemtic Name: (2R)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: (2R)-N-isopropyl-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: (2R)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: (2R)-N-isopropyl-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)C)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C(=O)NC(C)C)N3CCCCC3

InChI

InChI=1S/C20H29N5OS/c1-14(2)21-18(26)16(4)27-20-23-22-19(24-12-6-5-7-13-24)25(20)17-10-8-15(3)9-11-17/h8-11,14,16H,5-7,12-13H2,1-4H3,(H,21,26)/t16-/m1/s1