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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SCCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SCCC4=CC=C(C=C4)N

InChI

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