4-methyl-3-methylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-methylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-methyl-3-methylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-methyl-3-(methylthio)-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-methylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(methylthio)-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C(=NN=C1SC)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C14H18N4O2S2/c1-17-13(15-16-14(17)21-2)11-5-7-12(8-6-11)22(19,20)18-9-3-4-10-18/h5-8H,3-4,9-10H2,1-2H3