3-(cyclohexylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(cyclohexylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(cyclohexylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(cyclohexylmethylthio)-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethylsulfanyl)-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(cyclohexylmethylthio)-5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4CCCCC4)OC

InChI

InChI=1S/C23H27N3O2S/c1-27-20-14-13-18(15-21(20)28-2)22-24-25-23(26(22)19-11-7-4-8-12-19)29-16-17-9-5-3-6-10-17/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3