2-[3-(1H-imidazol-5-yl)propyl]-1-[1-(4-methylphenyl)sulfanylethyl]guanidine

Systemtic Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-(4-methylphenyl)sulfanylethyl]guanidine Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-(p-tolylsulfanyl)ethyl]guanidine CAS Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-[(4-methylphenyl)thio]ethyl]guanidine IUPAC Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-(4-methylphenyl)sulfanylethyl]guanidine Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-1-[1-(p-tolylthio)ethyl]guanidine Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)NC(=NCCCC2=CN=CN2)N

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)NC(=NCCCC2=CN=CN2)N

InChI

InChI=1S/C16H23N5S/c1-12-5-7-15(8-6-12)22-13(2)21-16(17)19-9-3-4-14-10-18-11-20-14/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,18,20)(H3,17,19,21)