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

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-[4-(1-phenylethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-[4-(1-phenylethyl)piperazino]ethanone Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H29N5OS/c1-3-26-20(18-9-10-18)22-23-21(26)28-15-19(27)25-13-11-24(12-14-25)16(2)17-7-5-4-6-8-17/h4-8,16,18H,3,9-15H2,1-2H3