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

Systemtic Name: N-tert-butyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-14-8-5-6-10-16(14)25-18(15-9-7-11-21-12-15)23-24-19(25)27-13-17(26)22-20(2,3)4/h5-12H,13H2,1-4H3,(H,22,26)