3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-tosylpiperazino)propan-1-one Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=NC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=NC(=N3)C)C

InChI

InChI=1S/C18H25N5O3S/c1-14-4-6-17(7-5-14)27(25,26)22-12-10-21(11-13-22)18(24)8-9-23-16(3)19-15(2)20-23/h4-7H,8-13H2,1-3H3