N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]-4-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-isopropyl-benzenesulfonamide CAS Name: N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-4-isopropyl-benzenesulfonamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S2/c1-13(2)15-8-10-16(11-9-15)26(23,24)22-17-19-18(21-20-17)25-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,19,20,21,22)