N,N-dimethyl-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-dimethyl-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N,N-dimethyl-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-dimethyl-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-dimethyl-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N,N-dimethyl-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=NNC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CSC1=NNC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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