3-cyclohexyl-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-cyclohexyl-4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-26-20-14-12-19(13-15-20)25-21(18-10-6-3-7-11-18)23-24-22(25)27-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3