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

Systemtic Name: (3-ethylsulfanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-4-yl)methyl 4-bromanylbenzoate Openeye Name: (3-ethylsulfanyl-6-methyl-5-oxo-1,2,4-triazin-4-yl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic 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-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(ethylthio)-5-keto-6-methyl-1,2,4-triazin-4-yl]methyl ester Formula: C14H14BrN3O3S MolecularWeight: 384.24826

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(C(=O)N1COC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCSC1=NN=C(C(=O)N1COC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H14BrN3O3S/c1-3-22-14-17-16-9(2)12(19)18(14)8-21-13(20)10-4-6-11(15)7-5-10/h4-7H,3,8H2,1-2H3