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

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C15H17N5O4S/c1-8-5-11(12(20(23)24)6-9(8)2)16-13(21)7-25-15-18-17-14(22)19(15)10-3-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,16,21)(H,17,22)