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

Systemtic Name: N-(3-methylbutyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-isopentyl-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-isoamyl-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2C(C)C)C3=CN=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2C(C)C)C3=CN=CC=C3

InChI

InChI=1S/C23H29N5OS/c1-16(2)11-13-25-21(29)15-30-23-27-26-22(18-8-7-12-24-14-18)28(23)20-10-6-5-9-19(20)17(3)4/h5-10,12,14,16-17H,11,13,15H2,1-4H3,(H,25,29)