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

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-butan-1-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)butan-1-one CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-butanone IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylbutan-1-one Traditional Name: 4-[[4,5-bis(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)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)N4CCCCC4

InChI

InChI=1S/C25H30N4OS/c1-19-8-12-21(13-9-19)24-26-27-25(29(24)22-14-10-20(2)11-15-22)31-18-6-7-23(30)28-16-4-3-5-17-28/h8-15H,3-7,16-18H2,1-2H3