2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-methylpiperidino]ethanone Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H23N5OS/c1-12-6-8-14(9-7-12)16-19-20-17(22(16)18)24-11-15(23)21-10-4-3-5-13(21)2/h6-9,13H,3-5,10-11,18H2,1-2H3/t13-/m0/s1