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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(1-naphthylmethylsulfanyl)-5-phenyl-1,2,4-triazole CAS Name: 4-(3,4-dimethoxyphenyl)-3-(1-naphthalenylmethylthio)-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole Traditional Name: 4-(3,4-dimethoxyphenyl)-3-(1-naphthylmethylthio)-5-phenyl-1,2,4-triazole Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H23N3O2S/c1-31-24-16-15-22(17-25(24)32-2)30-26(20-10-4-3-5-11-20)28-29-27(30)33-18-21-13-8-12-19-9-6-7-14-23(19)21/h3-17H,18H2,1-2H3