4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-benzylsulfanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazole CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzyl-5-benzylsulfanyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazole Traditional Name: 3-benzyl-5-(benzylthio)-4-homoveratryl-1,2,4-triazole Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N3O2S/c1-30-23-14-13-21(17-24(23)31-2)15-16-29-25(18-20-9-5-3-6-10-20)27-28-26(29)32-19-22-11-7-4-8-12-22/h3-14,17H,15-16,18-19H2,1-2H3