4-[3-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylpropyl]aniline

Systemtic Name: 4-[3-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylpropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylpropyl]aniline Traditional Name: [4-[3-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]propyl]phenyl]amine Formula: C23H29N3S MolecularWeight: 379.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCCC3=CC=C(C=C3)N

InChI

InChI=1S/C23H29N3S/c1-19-4-6-21(7-5-19)10-13-23(17-26-15-14-25-18-26)27-16-2-3-20-8-11-22(24)12-9-20/h4-9,11-12,14-15,18,23H,2-3,10,13,16-17,24H2,1H3