N-[1-(4-methylsulfonylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C19H20N4O3S2/c1-13(15-7-9-17(10-8-15)28(2,25)26)22-18(24)16-5-3-14(4-6-16)11-27-19-20-12-21-23-19/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,20,21,23)