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

Systemtic Name: N-[[4-cyclohexyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3CCCCC3)CNC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H30N4OS/c1-18-9-6-7-10-19(18)17-30-24-27-26-23(28(24)21-12-4-3-5-13-21)16-25-20-11-8-14-22(15-20)29-2/h6-11,14-15,21,25H,3-5,12-13,16-17H2,1-2H3