[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (4-chloranyl-2-methyl-phenyl)sulfanylmethanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (4-chloranyl-2-methyl-phenyl)sulfanylmethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] (4-chloro-2-methyl-phenyl)sulfanylformate CAS Name: [(4-chloro-2-methylphenyl)thio]formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] (4-chloro-2-methylphenyl)sulfanylformate Traditional Name: [(4-chloro-2-methyl-phenyl)thio]formic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C19H23ClN4O3S2 MolecularWeight: 454.99392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)SC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)SC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C(C)(C)C)C

InChI

InChI=1S/C19H23ClN4O3S2/c1-11-10-12(20)6-7-13(11)28-18(26)27-14-8-9-23(5)17(25)24(14)16-22-21-15(29-16)19(2,3)4/h6-7,10,14H,8-9H2,1-5H3