N-(4,5-dimethyl-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC=NN2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC=NN2

InChI

InChI=1S/C12H13N5O3S/c1-7-3-9(10(17(19)20)4-8(7)2)15-11(18)5-21-12-13-6-14-16-12/h3-4,6H,5H2,1-2H3,(H,15,18)(H,13,14,16)