1-[5-methyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazol-4-yl]ethanone

Systemtic Name: 1-[5-methyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]-1,2,3-triazol-4-yl]ethanone Openeye Name: 1-[5-methyl-1-[2-naphthylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazol-4-yl]ethanone CAS Name: 1-[1-[(4-mercapto-2-pyrrolidinyl)-(2-naphthalenylsulfonyl)methyl]-5-methyl-4-triazolyl]ethanone IUPAC Name: 1-[5-methyl-1-[naphthalen-2-ylsulfonyl-(4-sulfanylpyrrolidin-2-yl)methyl]triazol-4-yl]ethanone Traditional Name: 1-[1-[(4-mercaptopyrrolidin-2-yl)-(2-naphthylsulfonyl)methyl]-5-methyl-triazol-4-yl]ethanone Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C

Isomeric SMILES

CC1=C(N=NN1C(C2CC(CN2)S)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C

InChI

InChI=1S/C20H22N4O3S2/c1-12-19(13(2)25)22-23-24(12)20(18-10-16(28)11-21-18)29(26,27)17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,18,20-21,28H,10-11H2,1-2H3