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

Systemtic Name: 5-bromanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C17H16BrN5OS3 MolecularWeight: 482.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3C

InChI

InChI=1S/C17H16BrN5OS3/c1-3-25-17-23-22-16(27-17)21-14(24)13-12(18)8-19-15(20-13)26-9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,21,22,24)