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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C10H17N5OS MolecularWeight: 255.33988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C10H17N5OS/c1-7-2-4-15(5-3-7)8(16)6-17-10-12-9(11)13-14-10/h7H,2-6H2,1H3,(H3,11,12,13,14)