4-cyclohexyl-3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[[4-(methylthio)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(4-methoxyphenyl)-5-[[4-(methylthio)benzyl]thio]-1,2,4-triazole Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)SC

InChI

InChI=1S/C23H27N3OS2/c1-27-20-12-10-18(11-13-20)22-24-25-23(26(22)19-6-4-3-5-7-19)29-16-17-8-14-21(28-2)15-9-17/h8-15,19H,3-7,16H2,1-2H3