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

Systemtic Name: (2R)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: (2R)-N-phenethyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: (2R)-N-phenethyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NCCC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C)C(=O)NCCC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C24H29N5OS/c1-18-10-12-21(13-11-18)29-23(28-16-6-7-17-28)26-27-24(29)31-19(2)22(30)25-15-14-20-8-4-3-5-9-20/h3-5,8-13,19H,6-7,14-17H2,1-2H3,(H,25,30)/t19-/m1/s1