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

Systemtic Name: 5-chloranyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-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-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H14ClN5OS3 MolecularWeight: 423.96326

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS3/c1-9-3-5-10(6-4-9)8-25-16-22-21-15(26-16)20-13(23)12-11(17)7-18-14(19-12)24-2/h3-7H,8H2,1-2H3,(H,20,21,23)