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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

InChI

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