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

Systemtic Name: 1-(3-methylpiperazin-1-yl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one CAS Name: 1-(3-methyl-1-piperazinyl)-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3-methylpiperazino)butan-1-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-19-18-28(15-14-25-19)23(30)13-8-16-31-24-27-26-22(17-20-9-4-2-5-10-20)29(24)21-11-6-3-7-12-21/h2-7,9-12,19,25H,8,13-18H2,1H3