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

Systemtic Name: 4-[2-(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl)sulfanylethyl]aniline Openeye Name: 4-[2-[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-(1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl)sulfanylethyl]aniline Traditional Name: [4-[2-[[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]thio]ethyl]phenyl]amine Formula: C25H27N3S MolecularWeight: 401.56698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCC(CN3C=CN=C3)SCCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCC(CN3C=CN=C3)SCCC4=CC=C(C=C4)N

InChI

InChI=1S/C25H27N3S/c26-24-10-6-20(7-11-24)13-16-29-25(18-28-15-14-27-19-28)12-8-21-5-9-22-3-1-2-4-23(22)17-21/h1-7,9-11,14-15,17,19,25H,8,12-13,16,18,26H2