2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-1-(4-benzylpiperidino)ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=CN3N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NN=CN3N

InChI

InChI=1S/C16H21N5OS/c17-21-12-18-19-16(21)23-11-15(22)20-8-6-14(7-9-20)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11,17H2