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

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-sec-butylphenyl)propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-4-14(2)17-12-8-9-13-18(17)22-20(26)15(3)27-21-23-19(24-25-21)16-10-6-5-7-11-16/h5-15H,4H2,1-3H3,(H,22,26)(H,23,24,25)