3-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[3-[4-(phenylmethyl)piperidin-1-yl]propylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[3-(4-benzyl-1-piperidyl)propylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[3-[4-(phenylmethyl)-1-piperidinyl]propylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[3-(4-benzylpiperidin-1-yl)propylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[3-(4-benzylpiperidino)propylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H25N5S MolecularWeight: 331.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCSC3=NNC(=N3)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCSC3=NNC(=N3)N

InChI

InChI=1S/C17H25N5S/c18-16-19-17(21-20-16)23-12-4-9-22-10-7-15(8-11-22)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H3,18,19,20,21)