N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]butane-1-sulfonamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]butane-1-sulfonamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]butane-1-sulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-butanesulfonamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]butane-1-sulfonamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]butane-1-sulfonamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S2/c1-3-4-14-29(26,27)22-15-20-23-24-21(28-16-18-8-6-5-7-9-18)25(20)19-12-10-17(2)11-13-19/h5-13,22H,3-4,14-16H2,1-2H3