N-phenethyl-2-[[4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-phenethyl-2-[[4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(besylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S2/c30-24(26-17-16-20-10-4-1-5-11-20)18-33-25-28-27-23(29(25)21-12-6-2-7-13-21)19-34(31,32)22-14-8-3-9-15-22/h1-15H,16-19H2,(H,26,30)