(2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-mesityl-propionamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)SC2=NN=C(N2C3CC3)C4=CC=CS4)C

InChI

InChI=1S/C21H24N4OS2/c1-12-10-13(2)18(14(3)11-12)22-20(26)15(4)28-21-24-23-19(17-6-5-9-27-17)25(21)16-7-8-16/h5-6,9-11,15-16H,7-8H2,1-4H3,(H,22,26)/t15-/m0/s1