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

Systemtic Name: 4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylaniline Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylaniline CAS Name: 4-[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]aniline IUPAC Name: 4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylaniline Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]phenyl]amine Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C20H23N3S/c1-16-2-4-17(5-3-16)6-9-20(14-23-13-12-22-15-23)24-19-10-7-18(21)8-11-19/h2-5,7-8,10-13,15,20H,6,9,14,21H2,1H3