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

Systemtic Name: N-butyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-4-5-13-24-20(28)15-29-22-26-25-21(17-9-8-12-23-14-17)27(22)19-11-7-6-10-18(19)16(2)3/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,24,28)