4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]thiadiazole-5-carboxamide Traditional Name: 4-methyl-N-[2-(2-thienyl)-2-tosyl-ethyl]thiadiazole-5-carboxamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=C(N=NS2)C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=C(N=NS2)C)C3=CC=CS3

InChI

InChI=1S/C17H17N3O3S3/c1-11-5-7-13(8-6-11)26(22,23)15(14-4-3-9-24-14)10-18-17(21)16-12(2)19-20-25-16/h3-9,15H,10H2,1-2H3,(H,18,21)