2-[3-(1H-imidazol-5-yl)propyl]-1-[2-(phenylmethylsulfanyl)ethyl]guanidine

Systemtic Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[2-(phenylmethylsulfanyl)ethyl]guanidine Openeye Name: 1-(2-benzylsulfanylethyl)-2-[3-(1H-imidazol-5-yl)propyl]guanidine CAS Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[2-(phenylmethylthio)ethyl]guanidine IUPAC Name: 1-(2-benzylsulfanylethyl)-2-[3-(1H-imidazol-5-yl)propyl]guanidine Traditional Name: 1-[2-(benzylthio)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=NCCCC2=CN=CN2)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=NCCCC2=CN=CN2)N

InChI

InChI=1S/C16H23N5S/c17-16(19-8-4-7-15-11-18-13-21-15)20-9-10-22-12-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H,18,21)(H3,17,19,20)