5-chloranyl-2-ethylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C12H14ClN5O3S3 MolecularWeight: 407.91926

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC

InChI

InChI=1S/C12H14ClN5O3S3/c1-3-5-22-12-18-17-10(23-12)16-9(19)8-7(13)6-14-11(15-8)24(20,21)4-2/h6H,3-5H2,1-2H3,(H,16,17,19)