(2R)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-4-oxidanyl-butanoate

Systemtic Name: (2R)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-4-oxidanyl-butanoate Openeye Name: (2R)-4-hydroxy-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: (2R)-4-hydroxy-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]butanoate IUPAC Name: (2R)-4-hydroxy-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: (2R)-4-hydroxy-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyrate Formula: C18H23N4O3S- MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(CCO)C(=O)[O-])N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-13-5-7-14(8-6-13)22-17(21-10-3-2-4-11-21)19-20-18(22)26-15(9-12-23)16(24)25/h5-8,15,23H,2-4,9-12H2,1H3,(H,24,25)/p-1/t15-/m1/s1