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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4OS/c1-17-10-6-7-13-19(17)26-16-23-24-22(26)28-20(18-11-4-2-5-12-18)21(27)25-14-8-3-9-15-25/h2,4-7,10-13,16,20H,3,8-9,14-15H2,1H3