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

Systemtic Name: (2S)-N-ethyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-N-ethyl-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-ethyl-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2S)-N-ethyl-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

InChI

InChI=1S/C19H27N5O2S/c1-4-20-17(25)14(2)27-19-22-21-18(23-12-8-5-9-13-23)24(19)15-10-6-7-11-16(15)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,20,25)/t14-/m0/s1