(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]methyl ester IUPAC Name: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]methyl ester Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)SC

Isomeric SMILES

CC1=NN=C(N(C1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)SC

InChI

InChI=1S/C17H20N4O5S2/c1-12-15(22)21(17(27-2)19-18-12)11-26-16(23)13-5-7-14(8-6-13)28(24,25)20-9-3-4-10-20/h5-8H,3-4,9-11H2,1-2H3