[5-methanethioyl-4-(4-nitrophenyl)-2H-1,2,3,4-tetrazol-3-yl] thiocyanate

Systemtic Name: [5-methanethioyl-4-(4-nitrophenyl)-2H-1,2,3,4-tetrazol-3-yl] thiocyanate Openeye Name: [5-methanethioyl-4-(4-nitrophenyl)-2H-tetrazol-3-yl] thiocyanate CAS Name: thiocyanic acid [5-methanethioyl-4-(4-nitrophenyl)-2H-tetrazol-3-yl] ester IUPAC Name: [5-methanethioyl-4-(4-nitrophenyl)-2H-tetrazol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-(4-nitrophenyl)-5-thioformyl-2H-tetrazol-3-yl] ester Formula: C9H6N6O2S2 MolecularWeight: 294.31294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NNN2SC#N)C=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=NNN2SC#N)C=S)[N+](=O)[O-]

InChI

InChI=1S/C9H6N6O2S2/c10-6-19-15-12-11-9(5-18)13(15)7-1-3-8(4-2-7)14(16)17/h1-5,12H