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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H21N3O2S/c1-27-20-14-13-19(15-21(20)28-2)26-22(18-11-7-4-8-12-18)24-25-23(26)29-16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3