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

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)acetamide CAS Name: N-(2-butan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

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