1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-4-27-14-16-28(17-15-27)23(30)19(3)31-24-26-25-22(20-8-6-5-7-9-20)29(24)21-12-10-18(2)11-13-21/h5-13,19H,4,14-17H2,1-3H3