2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-ethyl-5-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-[4-(4-methylpiperazino)sulfonylphenyl]-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H30N6O3S2 MolecularWeight: 478.6313

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H30N6O3S2/c1-3-27-20(22-23-21(27)31-16-19(28)25-10-4-5-11-25)17-6-8-18(9-7-17)32(29,30)26-14-12-24(2)13-15-26/h6-9H,3-5,10-16H2,1-2H3