4-methylsulfanyl-3-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(methylthio)-3-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(methylthio)-3-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Formula: C17H12F3N5O3S MolecularWeight: 423.36909

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N5O3S/c1-29-15-5-2-10(6-14(15)25(27)28)16(26)23-12-7-11(17(18,19)20)3-4-13(12)24-9-21-8-22-24/h2-9H,1H3,(H,23,26)