2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-tosylpiperazino)ethanone Formula: C25H31N5O4S2 MolecularWeight: 529.67474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3CCOC)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NN=C(N3CCOC)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H31N5O4S2/c1-19-7-9-22(10-8-19)36(32,33)29-13-11-28(12-14-29)23(31)18-35-25-27-26-24(30(25)15-16-34-3)21-6-4-5-20(2)17-21/h4-10,17H,11-16,18H2,1-3H3