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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl

InChI

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