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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SCC4=CC=C(C=C4)N

InChI

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