N-[[4-cyclohexyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[4-cyclohexyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[5-[(E)-cinnamyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [5-[[(E)-cinnamyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C25H30N4OS MolecularWeight: 434.5969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-30-23-16-8-13-21(18-23)26-19-24-27-28-25(29(24)22-14-6-3-7-15-22)31-17-9-12-20-10-4-2-5-11-20/h2,4-5,8-13,16,18,22,26H,3,6-7,14-15,17,19H2,1H3/b12-9+