2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H23N5OS/c24-17(13-25-18-20-19-14-23(18)16-6-7-16)22-10-8-21(9-11-22)12-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2