1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one

Systemtic Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one Openeye Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-3-(p-tolylmethylsulfanyl)propan-1-one CAS Name: 1-[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-3-[(4-methylphenyl)methylthio]-1-propanone IUPAC Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one Traditional Name: 1-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-3-[(4-methylbenzyl)thio]propan-1-one Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)CSCCC(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H30N6OS/c1-20-6-8-21(9-7-20)18-34-17-12-25(33)30-14-10-22(11-15-30)26-27-13-16-31(26)19-32-24-5-3-2-4-23(24)28-29-32/h2-9,13,16,22H,10-12,14-15,17-19H2,1H3