2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methylsulfonylphenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-mesylphenyl)ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H19N3O3S2/c1-28(25,26)17-11-9-14(10-12-17)18(24)13-27-20-22-21-19(15-7-8-15)23(20)16-5-3-2-4-6-16/h2-6,9-12,15H,7-8,13H2,1H3