(2R)-N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-tert-butyl-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[[4-(p-tolyl)-5-pyrrolidino-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)C)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C(=O)NC(C)(C)C)N3CCCC3

InChI

InChI=1S/C20H29N5OS/c1-14-8-10-16(11-9-14)25-18(24-12-6-7-13-24)22-23-19(25)27-15(2)17(26)21-20(3,4)5/h8-11,15H,6-7,12-13H2,1-5H3,(H,21,26)/t15-/m1/s1