5-chloranyl-2-(phenylmethylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Formula: C17H16ClN5OS2 MolecularWeight: 405.92484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5OS2/c1-2-6-13-22-23-17(26-13)21-15(24)14-12(18)9-19-16(20-14)25-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,21,23,24)