N-[[5-(2-chloranylprop-2-enylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[5-(2-chloranylprop-2-enylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[5-(2-chloroallylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[5-(2-chloroprop-2-enylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[5-(2-chloroprop-2-enylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [5-(2-chloroallylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C19H25ClN4OS MolecularWeight: 392.946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=C)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC(=C)Cl

InChI

InChI=1S/C19H25ClN4OS/c1-14(20)13-26-19-23-22-18(24(19)16-8-4-3-5-9-16)12-21-15-7-6-10-17(11-15)25-2/h6-7,10-11,16,21H,1,3-5,8-9,12-13H2,2H3