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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCC(CN3C=CN=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCC(CN3C=CN=C3)SC4=CC=C(C=C4)N

InChI

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