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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(C)C)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(C)C)C4=CC=NC=C4

InChI

InChI=1S/C25H25N5OS/c1-17(2)19-8-10-21(11-9-19)27-23(31)16-32-25-29-28-24(20-12-14-26-15-13-20)30(25)22-7-5-4-6-18(22)3/h4-15,17H,16H2,1-3H3,(H,27,31)