4-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylaniline

Systemtic Name: 4-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylaniline Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylaniline CAS Name: 4-[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]aniline IUPAC Name: 4-(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylaniline Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]thio]phenyl]amine Formula: C23H23N3S MolecularWeight: 373.51382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C23H23N3S/c24-20-9-12-21(13-10-20)27-22(16-26-15-14-25-17-26)11-8-19-6-3-5-18-4-1-2-7-23(18)19/h1-7,9-10,12-15,17,22H,8,11,16,24H2