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

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloropyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-pyrimidine-4-carboxamide Formula: C21H16ClN5OS3 MolecularWeight: 486.03264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5OS3/c22-16-11-23-19(29-12-14-7-3-1-4-8-14)24-17(16)18(28)25-20-26-27-21(31-20)30-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,25,26,28)