2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H23N5O3S2/c27-20(14-30-21-23-22-15-26(21)18-6-7-18)24-9-11-25(12-10-24)31(28,29)19-8-5-16-3-1-2-4-17(16)13-19/h1-5,8,13,15,18H,6-7,9-12,14H2