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

Systemtic Name: 5-bromanyl-2-[(3-methylphenyl)methylsulfanyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(3-methylphenyl)methylthio]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-[(3-methylphenyl)methylsulfanyl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(3-methylbenzyl)thio]-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C16H14BrN5OS3 MolecularWeight: 468.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SC)Br

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SC)Br

InChI

InChI=1S/C16H14BrN5OS3/c1-9-4-3-5-10(6-9)8-25-14-18-7-11(17)12(19-14)13(23)20-15-21-22-16(24-2)26-15/h3-7H,8H2,1-2H3,(H,20,21,23)