2-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-[3-(1-naphthylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[3-(1-naphthalenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[(Z)-[3-(1-naphthylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-4-nitro-phenolate Formula: C20H14N5O3S- MolecularWeight: 404.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)N3N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)N3/N=C\C4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H15N5O3S/c26-18-9-8-16(25(27)28)10-15(18)12-21-24-19(22-23-20(24)29)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12,26H,11H2,(H,23,29)/p-1/b21-12-