N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S2/c1-4-24-19(16-8-6-5-7-9-16)21-22-20(24)28-14(2)18(25)15-10-12-17(13-11-15)23-29(3,26)27/h5-14,23H,4H2,1-3H3