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

Systemtic Name: 5-chloranyl-2-methylsulfonyl-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-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-methylsulfonyl-N-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfonyl-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-mesyl-pyrimidine-4-carboxamide Formula: C17H14ClN5O3S3 MolecularWeight: 467.97276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O3S3/c1-29(25,26)16-19-10-12(18)13(20-16)14(24)21-15-22-23-17(28-15)27-9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3,(H,21,22,24)/b8-5+