(2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C14H16N6O3S MolecularWeight: 348.38024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2N)C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C14H16N6O3S/c1-8(24-14-18-17-12(19(14)15)9-6-7-9)13(21)16-10-4-2-3-5-11(10)20(22)23/h2-5,8-9H,6-7,15H2,1H3,(H,16,21)/t8-/m1/s1