4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-butan-1-one

Systemtic Name: 4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-butan-1-one Openeye Name: 4-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)butan-1-one CAS Name: 4-[[4-(4-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-butanone IUPAC Name: 4-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylbutan-1-one Traditional Name: 4-[[5-benzyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-butan-1-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)N3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-20-12-14-22(15-13-20)29-23(19-21-9-4-2-5-10-21)26-27-25(29)31-18-8-11-24(30)28-16-6-3-7-17-28/h2,4-5,9-10,12-15H,3,6-8,11,16-19H2,1H3