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

Systemtic Name: 5-chloranyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-propylsulfonyl-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C18H18ClN5O3S3 MolecularWeight: 484.01522

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C18H18ClN5O3S3/c1-3-8-30(26,27)17-20-9-13(19)14(21-17)15(25)22-16-23-24-18(29-16)28-10-12-6-4-11(2)5-7-12/h4-7,9H,3,8,10H2,1-2H3,(H,22,23,25)