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

Systemtic Name: 4-chloranyl-2-nitro-6-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Formula: C9H5ClN5O3S- MolecularWeight: 298.6857

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])C=NN2C=NNC2=S)Cl

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])/C=N\N2C=NNC2=S)Cl

InChI

InChI=1S/C9H6ClN5O3S/c10-6-1-5(8(16)7(2-6)15(17)18)3-12-14-4-11-13-9(14)19/h1-4,16H,(H,13,19)/p-1/b12-3-