3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Traditional Name: 3-(p-anisylthio)-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O2S/c1-3-17-30-23-15-11-20(12-16-23)24-26-27-25(28(24)21-7-5-4-6-8-21)31-18-19-9-13-22(29-2)14-10-19/h4-16H,3,17-18H2,1-2H3