1-(3-methylpiperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-(3-methylpiperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one CAS Name: 1-(3-methyl-1-piperazinyl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3-methylpiperazino)pentan-1-one Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5OS/c1-20-19-29(16-15-26-20)24(31)14-8-9-17-32-25-28-27-23(18-21-10-4-2-5-11-21)30(25)22-12-6-3-7-13-22/h2-7,10-13,20,26H,8-9,14-19H2,1H3