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

Systemtic Name: 3-(furan-2-yl)-1-methylsulfonyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-3-(2-furyl)-1-methylsulfonyl-1,2,4-triazole CAS Name: 3-(2-furanyl)-1-methylsulfonyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-3-(furan-2-yl)-1-methylsulfonyl-1,2,4-triazole Traditional Name: 5-(benzylthio)-3-(2-furyl)-1-mesyl-1,2,4-triazole Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H13N3O3S2/c1-22(18,19)17-14(21-10-11-6-3-2-4-7-11)15-13(16-17)12-8-5-9-20-12/h2-9H,10H2,1H3