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

Systemtic Name: (2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-ethyl-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-ethyl-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCC3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCC3

InChI

InChI=1S/C18H25N5OS/c1-4-19-16(24)14(3)25-18-21-20-17(22-11-5-6-12-22)23(18)15-9-7-13(2)8-10-15/h7-10,14H,4-6,11-12H2,1-3H3,(H,19,24)/t14-/m0/s1