2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H30N6OS MolecularWeight: 426.5782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H30N6OS/c29-20(26-14-12-25(13-15-26)16-18-6-2-1-3-7-18)17-30-22-24-23-21(27-10-4-5-11-27)28(22)19-8-9-19/h1-3,6-7,19H,4-5,8-17H2