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

Systemtic Name: 4-[(1-imidazol-1-yl-4-naphthalen-2-yl-butan-2-yl)sulfanylmethyl]aniline Openeye Name: 4-[[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]sulfanylmethyl]aniline CAS Name: 4-[[[1-(1-imidazolyl)-4-(2-naphthalenyl)butan-2-yl]thio]methyl]aniline IUPAC Name: 4-[(1-imidazol-1-yl-4-naphthalen-2-ylbutan-2-yl)sulfanylmethyl]aniline Traditional Name: [4-[[[1-(imidazol-1-ylmethyl)-3-(2-naphthyl)propyl]thio]methyl]phenyl]amine Formula: C24H25N3S MolecularWeight: 387.5404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCC(CN3C=CN=C3)SCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCC(CN3C=CN=C3)SCC4=CC=C(C=C4)N

InChI

InChI=1S/C24H25N3S/c25-23-10-6-20(7-11-23)17-28-24(16-27-14-13-26-18-27)12-8-19-5-9-21-3-1-2-4-22(21)15-19/h1-7,9-11,13-15,18,24H,8,12,16-17,25H2