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

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[5-[(E)-cinnamyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-[[(E)-cinnamyl]thio]-1,3,4-thiadiazol-2-yl]-2-esyl-pyrimidine-4-carboxamide Formula: C18H16ClN5O3S3 MolecularWeight: 481.99934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O3S3/c1-2-30(26,27)17-20-11-13(19)14(21-17)15(25)22-16-23-24-18(29-16)28-10-6-9-12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H,22,23,25)/b9-6+