2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C16H17N7O4S MolecularWeight: 403.41568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O4S/c1-21-8-12(15(20-21)27-3)14-18-19-16(22(14)2)28-9-13(24)17-10-5-4-6-11(7-10)23(25)26/h4-8H,9H2,1-3H3,(H,17,24)