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

Systemtic Name: (2S)-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)S[C@@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H25N5OS/c1-16-10-12-18(13-11-16)20-24-25-22(27(20)23)29-19(17-8-4-2-5-9-17)21(28)26-14-6-3-7-15-26/h2,4-5,8-13,19H,3,6-7,14-15,23H2,1H3/t19-/m0/s1