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

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-sec-butylphenyl)propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-5-15(2)18-13-9-10-14-19(18)23-21(27)16(3)28-22-25-24-20(26(22)4)17-11-7-6-8-12-17/h6-16H,5H2,1-4H3,(H,23,27)