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

Systemtic Name: 5-chloranyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[5-[(E)-cinnamyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-[[(E)-cinnamyl]thio]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C19H18ClN5O3S3 MolecularWeight: 496.02592

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC=CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SC/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClN5O3S3/c1-2-11-31(27,28)18-21-12-14(20)15(22-18)16(26)23-17-24-25-19(30-17)29-10-6-9-13-7-4-3-5-8-13/h3-9,12H,2,10-11H2,1H3,(H,23,24,26)/b9-6+