2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-N-(4-benzoxyphenyl)acetamide Formula: C26H23N7O2S MolecularWeight: 497.57152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC(=NN4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC(=NN4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N7O2S/c27-33-25(23-15-22(29-30-23)19-9-5-2-6-10-19)31-32-26(33)36-17-24(34)28-20-11-13-21(14-12-20)35-16-18-7-3-1-4-8-18/h1-15H,16-17,27H2,(H,28,34)(H,29,30)