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

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15N5O4S/c1-8-15-16-13(17(8)2)23-7-12(19)14-10-6-9(18(20)21)4-5-11(10)22-3/h4-6H,7H2,1-3H3,(H,14,19)