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

Systemtic Name: 3-methylsulfanyl-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-methylsulfanyl-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 3-(methylthio)-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-methylsulfanyl-5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(methylthio)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c1-3-7-15-11(13-14-12(15)19-2)9-5-4-6-10(8-9)16(17)18/h3-6,8H,1,7H2,2H3