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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

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