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

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(3-nitrophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-2-11-21-17(15-8-4-3-5-9-15)19-20-18(21)25-13-14-7-6-10-16(12-14)22(23)24/h2-10,12H,1,11,13H2