2-chloranyl-4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-chloranyl-4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-chloro-4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-chloro-4-methylsulfonyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-chloro-4-mesyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C13H14ClN3O3S3 MolecularWeight: 391.91656

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C13H14ClN3O3S3/c1-3-6-21-13-17-16-12(22-13)15-11(18)9-5-4-8(7-10(9)14)23(2,19)20/h4-5,7H,3,6H2,1-2H3,(H,15,16,18)