3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(2-nitrophenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-nitrophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(2-nitrobenzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c20-19(21)13-9-5-4-8-12(13)10-22-15-16-14(17-18-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)