4-[(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylmethyl]aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C20H23N3S/c21-19-9-6-18(7-10-19)15-24-20(14-23-13-12-22-16-23)11-8-17-4-2-1-3-5-17/h1-7,9-10,12-13,16,20H,8,11,14-15,21H2