4-methyl-N-[1-phenyl-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[1-phenyl-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzenesulfonamide Openeye Name: N-[3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[1-phenyl-3-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propyl]benzenesulfonamide IUPAC Name: N-[3-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propyl]-4-methyl-benzenesulfonamide Formula: C29H28N4O2S3 MolecularWeight: 560.75322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S3/c1-22-14-16-25(17-15-22)38(34,35)32-26(24-11-6-3-7-12-24)18-20-37-29-31-30-28(27-13-8-19-36-27)33(29)21-23-9-4-2-5-10-23/h2-17,19,26,32H,18,20-21H2,1H3