5-(dimethylamino)-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]naphthalene-1-sulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-1-naphthalenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-5-(dimethylamino)naphthalene-1-sulfonamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=NC(=NN3)SCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=NC(=NN3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S2/c1-26(2)18-12-6-11-17-16(18)10-7-13-19(17)30(27,28)25-20-22-21(24-23-20)29-14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H2,22,23,24,25)