3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(2,5-dimethylphenyl)sulfonylethylthio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NN=C(N2CC=C)C3=CC=CC=C3OC

InChI

InChI=1S/C22H25N3O3S2/c1-5-12-25-21(18-8-6-7-9-19(18)28-4)23-24-22(25)29-13-14-30(26,27)20-15-16(2)10-11-17(20)3/h5-11,15H,1,12-14H2,2-4H3