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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C18H21N5O3S MolecularWeight: 387.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C18H21N5O3S/c1-10-14(4-3-5-15(10)23(25)26)19-17(24)11(2)27-18-21-20-16(12-6-7-12)22(18)13-8-9-13/h3-5,11-13H,6-9H2,1-2H3,(H,19,24)