4-[2-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylethyl]aniline

Systemtic Name: 4-[2-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylethyl]aniline Openeye Name: 4-[2-[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylethyl]aniline Traditional Name: [4-[2-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]ethyl]phenyl]amine Formula: C22H27N3S MolecularWeight: 365.53488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCC3=CC=C(C=C3)N

InChI

InChI=1S/C22H27N3S/c1-18-2-4-19(5-3-18)8-11-22(16-25-14-13-24-17-25)26-15-12-20-6-9-21(23)10-7-20/h2-7,9-10,13-14,17,22H,8,11-12,15-16,23H2,1H3