2-methoxy-4-nitro-6-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[(Z)-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 2-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-4-nitro-6-[(Z)-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 2-[(Z)-(3-benzylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(Z)-[3-(benzylthio)-1,2,4-triazol-4-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C17H14N5O4S- MolecularWeight: 384.38916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NN2C=NN=C2SCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=N\N2C=NN=C2SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-26-15-8-14(22(24)25)7-13(16(15)23)9-19-21-11-18-20-17(21)27-10-12-5-3-2-4-6-12/h2-9,11,23H,10H2,1H3/p-1/b19-9-