N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S2/c1-13(17(23)14-8-10-15(11-9-14)21-27(2,24)25)26-18-20-19-12-22(18)16-6-4-3-5-7-16/h3-13,21H,1-2H3