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

Systemtic Name: (2R)-N-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-tert-butylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-tert-butylphenyl)-2-[(4-phenyl-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=NN=CN2C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-15(19(26)23-17-12-10-16(11-13-17)21(2,3)4)27-20-24-22-14-25(20)18-8-6-5-7-9-18/h5-15H,1-4H3,(H,23,26)/t15-/m1/s1