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

Systemtic Name: N-[[4-cyclohexyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-(2-methylallylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-(2-methylprop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-(2-methylallylthio)-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=C)CSC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H28N4OS/c1-15(2)14-26-20-23-22-19(24(20)17-9-5-4-6-10-17)13-21-16-8-7-11-18(12-16)25-3/h7-8,11-12,17,21H,1,4-6,9-10,13-14H2,2-3H3