N-[[4-cyclohexyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[4-cyclohexyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C26H30N6OS MolecularWeight: 474.621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C26H30N6OS/c1-33-24-10-5-7-21(17-24)27-18-25-29-30-26(32(25)23-8-3-2-4-9-23)34-19-20-11-13-22(14-12-20)31-16-6-15-28-31/h5-7,10-17,23,27H,2-4,8-9,18-19H2,1H3