4-[2-[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylethyl]aniline

Systemtic Name: 4-[2-[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylethyl]aniline Openeye Name: 4-[2-[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]sulfanylethyl]aniline CAS Name: 4-[2-[[1-(1-imidazolyl)-4-(5-methyl-2-thiophenyl)butan-2-yl]thio]ethyl]aniline IUPAC Name: 4-[2-[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylethyl]aniline Traditional Name: [4-[2-[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]thio]ethyl]phenyl]amine Formula: C20H25N3S2 MolecularWeight: 371.5626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCCC3=CC=C(C=C3)N

InChI

InChI=1S/C20H25N3S2/c1-16-2-7-19(25-16)8-9-20(14-23-12-11-22-15-23)24-13-10-17-3-5-18(21)6-4-17/h2-7,11-12,15,20H,8-10,13-14,21H2,1H3