4-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Formula: C17H14N5O3S- MolecularWeight: 368.38976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-12-19-20-17(26-11-13-5-3-2-4-6-13)21(12)18-10-14-7-8-16(23)15(9-14)22(24)25/h2-10,23H,11H2,1H3/p-1/b18-10-