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

Systemtic Name: [1-methyl-2-oxidanylidene-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] 4-iodanylbenzoate Openeye Name: [1-methyl-2-oxo-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-methyl-2-oxo-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] ester IUPAC Name: [1-methyl-2-oxo-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-diazinan-4-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-1-methyl-3-[5-(propylthio)-1,3,4-thiadiazol-2-yl]hexahydropyrimidin-4-yl] ester Formula: C17H19IN4O3S2 MolecularWeight: 518.39223

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCCSC1=NN=C(S1)N2C(CCN(C2=O)C)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H19IN4O3S2/c1-3-10-26-16-20-19-15(27-16)22-13(8-9-21(2)17(22)24)25-14(23)11-4-6-12(18)7-5-11/h4-7,13H,3,8-10H2,1-2H3