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

Systemtic Name: 4-chloranyl-2-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-6-nitro-phenolate Formula: C10H7ClN5O3S- MolecularWeight: 312.71228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NNC(=S)N1/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C10H8ClN5O3S/c1-5-13-14-10(20)15(5)12-4-6-2-7(11)3-8(9(6)17)16(18)19/h2-4,17H,1H3,(H,14,20)/p-1/b12-4-