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

Systemtic Name: N-[[4-cyclohexyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[[4-(methylthio)phenyl]methylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[[4-(methylthio)benzyl]thio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C24H30N4OS2 MolecularWeight: 454.6512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS2/c1-29-21-10-6-7-19(15-21)25-16-23-26-27-24(28(23)20-8-4-3-5-9-20)31-17-18-11-13-22(30-2)14-12-18/h6-7,10-15,20,25H,3-5,8-9,16-17H2,1-2H3