3-(4-methoxyphenyl)-1-methylsulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-1-methylsulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-3-(4-methoxyphenyl)-1-methylsulfonyl-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-1-methylsulfonyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-3-(4-methoxyphenyl)-1-methylsulfonyl-1,2,4-triazole Traditional Name: 5-(benzylthio)-1-mesyl-3-(4-methoxyphenyl)-1,2,4-triazole Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)SCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O3S2/c1-23-15-10-8-14(9-11-15)16-18-17(20(19-16)25(2,21)22)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3