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

Systemtic Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one Openeye Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one CAS Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one Traditional Name: 4-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(3-methylpiperazino)butan-1-one Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O2S/c1-18-17-28(14-13-25-18)22(30)12-7-15-32-24-27-26-23(19-8-6-11-21(16-19)31-2)29(24)20-9-4-3-5-10-20/h3-6,8-11,16,18,25H,7,12-15,17H2,1-2H3