2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C16H21N7OS MolecularWeight: 359.44924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C16H21N7OS/c17-23-15(12-4-5-12)19-20-16(23)25-11-14(24)22-9-7-21(8-10-22)13-3-1-2-6-18-13/h1-3,6,12H,4-5,7-11,17H2