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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-28-20-12-10-19(11-13-20)27-23(18-9-14-21(29-2)22(15-18)30-3)25-26-24(27)31-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3