2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=C(N3C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N5O2S/c1-17(22(29)28-15-13-27(14-16-28)19-7-5-4-6-8-19)31-23-25-24-21(26(23)2)18-9-11-20(30-3)12-10-18/h4-12,17H,13-16H2,1-3H3