5-chloranyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[5-[(E)-cinnamyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-thiadiazol-2-yl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-[[(E)-cinnamyl]thio]-1,3,4-thiadiazol-2-yl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C19H18ClN5OS3 MolecularWeight: 464.02712

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC=CC3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5OS3/c1-2-10-27-17-21-12-14(20)15(22-17)16(26)23-18-24-25-19(29-18)28-11-6-9-13-7-4-3-5-8-13/h3-9,12H,2,10-11H2,1H3,(H,23,24,26)/b9-6+