2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C21H28N4OS/c1-12(2)17-7-5-6-13(3)18(17)22-20(26)14(4)27-21-24-23-19(15-8-9-15)25(21)16-10-11-16/h5-7,12,14-16H,8-11H2,1-4H3,(H,22,26)