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

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-[4-(2-methylpropoxy)phenyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-isobutoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-5-[4-(2-methylpropoxy)phenyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-[4-(2-methylpropoxy)phenyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-isobutoxyphenyl)-5-(m-anisylthio)-1,2,4-triazole Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-5-13-26-22(19-9-11-20(12-10-19)28-15-17(2)3)24-25-23(26)29-16-18-7-6-8-21(14-18)27-4/h5-12,14,17H,1,13,15-16H2,2-4H3