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

Systemtic Name: 5-chloranyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(o-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C17H16ClN5O3S2 MolecularWeight: 437.92364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C17H16ClN5O3S2/c1-3-13-22-23-16(27-13)21-15(24)14-12(18)8-19-17(20-14)28(25,26)9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,21,23,24)