2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C15H18N6O3S MolecularWeight: 362.40682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C15H18N6O3S/c1-8-5-11(12(21(23)24)6-9(8)2)17-13(22)7-25-15-19-18-14(20(15)16)10-3-4-10/h5-6,10H,3-4,7,16H2,1-2H3,(H,17,22)