4-nitro-2-[(Z)-[(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinylidene]methyl]phenolate

Systemtic Name: 4-nitro-2-[(Z)-[(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinylidene]methyl]phenolate Openeye Name: 2-[(Z)-[(3-allylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazono]methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[(Z)-[[3-(prop-2-enylthio)-1H-1,2,4-triazol-5-yl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-nitro-2-[(Z)-[(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)hydrazinylidene]methyl]phenolate Traditional Name: 2-[(Z)-[[3-(allylthio)-1H-1,2,4-triazol-5-yl]hydrazono]methyl]-4-nitro-phenolate Formula: C12H11N6O3S- MolecularWeight: 319.31914

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=N1)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C=CCSC1=NNC(=N1)N/N=C\C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H12N6O3S/c1-2-5-22-12-14-11(16-17-12)15-13-7-8-6-9(18(20)21)3-4-10(8)19/h2-4,6-7,19H,1,5H2,(H2,14,15,16,17)/p-1/b13-7-