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

Systemtic Name: 4-[2-(1-imidazol-1-yl-4-phenyl-butan-2-yl)sulfanylethyl]aniline Openeye Name: 4-[2-[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[1-(1-imidazolyl)-4-phenylbutan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-(1-imidazol-1-yl-4-phenylbutan-2-yl)sulfanylethyl]aniline Traditional Name: [4-[2-[[1-(imidazol-1-ylmethyl)-3-phenyl-propyl]thio]ethyl]phenyl]amine Formula: C21H25N3S MolecularWeight: 351.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(CN2C=CN=C2)SCCC3=CC=C(C=C3)N

InChI

InChI=1S/C21H25N3S/c22-20-9-6-19(7-10-20)12-15-25-21(16-24-14-13-23-17-24)11-8-18-4-2-1-3-5-18/h1-7,9-10,13-14,17,21H,8,11-12,15-16,22H2