[1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-bromanylbenzoate

Systemtic Name: [1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-bromanylbenzoate Openeye Name: [1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxo-1,3-diazinan-4-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-keto-3-methyl-hexahydropyrimidin-4-yl] ester Formula: C16H17BrN4O3S2 MolecularWeight: 457.36518

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)N2CCC(N(C2=O)C)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCSC1=NN=C(S1)N2CCC(N(C2=O)C)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H17BrN4O3S2/c1-3-25-15-19-18-14(26-15)21-9-8-12(20(2)16(21)23)24-13(22)10-6-4-5-7-11(10)17/h4-7,12H,3,8-9H2,1-2H3