5-chloranyl-2-ethylsulfonyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfonyl-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C17H16ClN5O3S3 MolecularWeight: 469.98864

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC(=C3)C)Cl

InChI

InChI=1S/C17H16ClN5O3S3/c1-3-29(25,26)16-19-8-12(18)13(20-16)14(24)21-15-22-23-17(28-15)27-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H,21,22,24)