3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(methylthio)phenyl]methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-methoxyphenyl)-5-[[4-(methylthio)benzyl]thio]-1,2,4-triazole Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21N3OS2/c1-4-13-23-19(16-7-9-17(24-2)10-8-16)21-22-20(23)26-14-15-5-11-18(25-3)12-6-15/h4-12H,1,13-14H2,2-3H3