2-methoxy-4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-methoxy-6-nitro-4-[(Z)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 2-methoxy-4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-methoxy-6-nitro-4-[(Z)-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C17H14N5O4S- MolecularWeight: 384.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-10-3-5-12(6-4-10)16-19-20-17(27)21(16)18-9-11-7-13(22(24)25)15(23)14(8-11)26-2/h3-9,23H,1-2H3,(H,20,27)/p-1/b18-9-