2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylphenyl)ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylphenyl)ethanamide Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylphenyl)acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylphenyl)acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylphenyl)acetamide Formula: C28H23N5OS MolecularWeight: 477.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H23N5OS/c34-26(30-25-15-13-23(14-16-25)22-10-5-2-6-11-22)20-35-28-32-31-27(24-12-7-17-29-18-24)33(28)19-21-8-3-1-4-9-21/h1-18H,19-20H2,(H,30,34)