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

Systemtic Name: 5-chloranyl-2-methylsulfonyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfonyl-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-methylsulfonyl-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfonyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-mesyl-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide Formula: C19H14ClN5O3S3 MolecularWeight: 491.99416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN5O3S3/c1-31(27,28)18-21-9-14(20)15(22-18)16(26)23-17-24-25-19(30-17)29-10-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,10H2,1H3,(H,23,24,26)