4-methyl-N-[3-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]propyl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]propyl]benzenesulfonamide Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=C(N=N2)C(=O)N3CCSCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCN2C=C(N=N2)C(=O)N3CCSCC3

InChI

InChI=1S/C17H23N5O3S2/c1-14-3-5-15(6-4-14)27(24,25)18-7-2-8-22-13-16(19-20-22)17(23)21-9-11-26-12-10-21/h3-6,13,18H,2,7-12H2,1H3