2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperazino)ethanone Formula: C9H16N6OS MolecularWeight: 256.32794

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C9H16N6OS/c1-14-2-4-15(5-3-14)7(16)6-17-9-11-8(10)12-13-9/h2-6H2,1H3,(H3,10,11,12,13)