3-(furan-2-yl)-4-methyl-5-[2-(4-methylphenyl)sulfonylethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-4-methyl-5-[2-(4-methylphenyl)sulfonylethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-methyl-5-[2-(p-tolylsulfonyl)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-methyl-5-[2-(4-methylphenyl)sulfonylethylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-methyl-5-[2-(4-methylphenyl)sulfonylethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-methyl-5-(2-tosylethylthio)-1,2,4-triazole Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NN=C(N2C)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NN=C(N2C)C3=CC=CO3

InChI

InChI=1S/C16H17N3O3S2/c1-12-5-7-13(8-6-12)24(20,21)11-10-23-16-18-17-15(19(16)2)14-4-3-9-22-14/h3-9H,10-11H2,1-2H3