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

Systemtic Name: 2-nitro-4-[(Z)-[3-(phenylmethylsulfanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Openeye Name: 4-[(Z)-(3-benzylsulfanyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitro-phenolate CAS Name: 2-nitro-4-[(Z)-[3-(phenylmethylthio)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 4-[(Z)-(3-benzylsulfanyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[3-(benzylthio)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2-nitro-phenolate Formula: C16H12N5O3S2- MolecularWeight: 386.42818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=S)N2N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S2/c22-14-7-6-12(8-13(14)21(23)24)9-17-20-15(25)18-19-16(20)26-10-11-4-2-1-3-5-11/h1-9,22H,10H2,(H,18,25)/p-1/b17-9-