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

Systemtic Name: N-(4-methylphenyl)-2-phenyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-phenyl-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H25N5OS/c1-21-14-16-25(17-15-21)31-28(35)26(23-11-6-3-7-12-23)36-29-33-32-27(24-13-8-18-30-19-24)34(29)20-22-9-4-2-5-10-22/h2-19,26H,20H2,1H3,(H,31,35)