O-[1-methyl-2-oxidanylidene-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] 4-ethylbenzenecarbothioate

Systemtic Name: O-[1-methyl-2-oxidanylidene-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] 4-ethylbenzenecarbothioate Openeye Name: O-[1-methyl-2-oxo-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]hexahydropyrimidin-4-yl] 4-ethylbenzenecarbothioate CAS Name: 4-ethylbenzenecarbothioic acid O-[1-methyl-2-oxo-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] ester IUPAC Name: O-[1-methyl-2-oxo-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]-1,3-diazinan-4-yl] 4-ethylbenzenecarbothioate Traditional Name: 4-ethylthiobenzoic acid O-[2-keto-1-methyl-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]hexahydropyrimidin-4-yl] ester Formula: C17H17Cl3N4O2S2 MolecularWeight: 479.83148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C(Cl)(Cl)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=S)OC2CCN(C(=O)N2C3=NN=C(S3)C(Cl)(Cl)Cl)C

InChI

InChI=1S/C17H17Cl3N4O2S2/c1-3-10-4-6-11(7-5-10)13(27)26-12-8-9-23(2)16(25)24(12)15-22-21-14(28-15)17(18,19)20/h4-7,12H,3,8-9H2,1-2H3