4-[3-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylpropyl]aniline

Systemtic Name: 4-[3-(1-imidazol-1-yl-4-naphthalen-1-yl-butan-2-yl)sulfanylpropyl]aniline Openeye Name: 4-[3-[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]sulfanylpropyl]aniline CAS Name: 4-[3-[[1-(1-imidazolyl)-4-(1-naphthalenyl)butan-2-yl]thio]propyl]aniline IUPAC Name: 4-[3-(1-imidazol-1-yl-4-naphthalen-1-ylbutan-2-yl)sulfanylpropyl]aniline Traditional Name: [4-[3-[[1-(imidazol-1-ylmethyl)-3-(1-naphthyl)propyl]thio]propyl]phenyl]amine Formula: C26H29N3S MolecularWeight: 415.59356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SCCCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(CN3C=CN=C3)SCCCC4=CC=C(C=C4)N

InChI

InChI=1S/C26H29N3S/c27-24-13-10-21(11-14-24)5-4-18-30-25(19-29-17-16-28-20-29)15-12-23-8-3-7-22-6-1-2-9-26(22)23/h1-3,6-11,13-14,16-17,20,25H,4-5,12,15,18-19,27H2