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

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfonyl-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C20H16ClN5O3S3 MolecularWeight: 506.02074

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H16ClN5O3S3/c1-2-32(28,29)19-22-10-15(21)16(23-19)17(27)24-18-25-26-20(31-18)30-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10H,2,11H2,1H3,(H,24,25,27)