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

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C16H14ClN5O3S3 MolecularWeight: 455.96206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SC)Cl

InChI

InChI=1S/C16H14ClN5O3S3/c1-9-4-3-5-10(6-9)8-28(24,25)15-18-7-11(17)12(19-15)13(23)20-14-21-22-16(26-2)27-14/h3-7H,8H2,1-2H3,(H,20,21,23)