2-[2-[4-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1H-imidazol-5-yl]ethanamine

Systemtic Name: 2-[2-[4-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1H-imidazol-5-yl]ethanamine Openeye Name: 2-[2-[4-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1H-imidazol-5-yl]ethanamine CAS Name: 2-[2-[4-(1H-imidazol-5-ylmethylthio)butyl]-1H-imidazol-5-yl]ethanamine IUPAC Name: 2-[2-[4-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1H-imidazol-5-yl]ethanamine Traditional Name: 2-[2-[4-(1H-imidazol-5-ylmethylthio)butyl]-1H-imidazol-5-yl]ethylamine Formula: C13H21N5S MolecularWeight: 279.40434

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=N1)CCCCSCC2=CN=CN2)CCN

Isomeric SMILES

C1=C(NC(=N1)CCCCSCC2=CN=CN2)CCN

InChI

InChI=1S/C13H21N5S/c14-5-4-11-8-16-13(18-11)3-1-2-6-19-9-12-7-15-10-17-12/h7-8,10H,1-6,9,14H2,(H,15,17)(H,16,18)