1-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(2-methylphenyl)-pyridin-2-yl-methyl]sulfanylethyl]guanidine

Systemtic Name: 1-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(2-methylphenyl)-pyridin-2-yl-methyl]sulfanylethyl]guanidine Openeye Name: 1-[3-(1H-imidazol-5-yl)propyl]-1-[2-[o-tolyl(2-pyridyl)methyl]sulfanylethyl]guanidine CAS Name: 1-[3-(1H-imidazol-5-yl)propyl]-1-[2-[[(2-methylphenyl)-(2-pyridinyl)methyl]thio]ethyl]guanidine IUPAC Name: 1-[3-(1H-imidazol-5-yl)propyl]-1-[2-[(2-methylphenyl)-pyridin-2-ylmethyl]sulfanylethyl]guanidine Traditional Name: 1-[3-(1H-imidazol-5-yl)propyl]-1-[2-[[o-tolyl(2-pyridyl)methyl]thio]ethyl]guanidine Formula: C22H28N6S MolecularWeight: 408.56292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=N2)SCCN(CCCC3=CN=CN3)C(=N)N

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=N2)SCCN(CCCC3=CN=CN3)C(=N)N

InChI

InChI=1S/C22H28N6S/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-26-20)29-14-13-28(22(23)24)12-6-8-18-15-25-16-27-18/h2-5,7,9-11,15-16,21H,6,8,12-14H2,1H3,(H3,23,24)(H,25,27)