3-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tosylbenzyl)thio]-1,2,4-triazole Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=CN3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=CN3CC=C

InChI

InChI=1S/C19H19N3O2S2/c1-3-12-22-14-20-21-19(22)25-13-16-6-10-18(11-7-16)26(23,24)17-8-4-15(2)5-9-17/h3-11,14H,1,12-13H2,2H3