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

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C17H16ClN5OS3 MolecularWeight: 437.98984

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN5OS3/c1-2-8-25-17-23-22-16(27-17)21-14(24)13-12(18)9-19-15(20-13)26-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,21,22,24)