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

Systemtic Name: (3-ethylsulfanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-ethylsulfanyl-6-methyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [3-(ethylthio)-6-methyl-5-oxo-1,2,4-triazin-4-yl]methyl ester IUPAC Name: (3-ethylsulfanyl-6-methyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [3-(ethylthio)-5-keto-6-methyl-1,2,4-triazin-4-yl]methyl ester Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(C(=O)N1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCSC1=NN=C(C(=O)N1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C18H22N4O5S2/c1-3-28-18-20-19-13(2)16(23)22(18)12-27-17(24)14-6-8-15(9-7-14)29(25,26)21-10-4-5-11-21/h6-9H,3-5,10-12H2,1-2H3