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

Systemtic Name: [4-(2-tert-butylphenyl)-5-methanethioyl-2H-1,2,3,4-tetrazol-3-yl] thiocyanate Openeye Name: [4-(2-tert-butylphenyl)-5-methanethioyl-2H-tetrazol-3-yl] thiocyanate CAS Name: thiocyanic acid [4-(2-tert-butylphenyl)-5-methanethioyl-2H-tetrazol-3-yl] ester IUPAC Name: [4-(2-tert-butylphenyl)-5-methanethioyl-2H-tetrazol-3-yl] thiocyanate Traditional Name: thiocyanic acid [4-(2-tert-butylphenyl)-5-thioformyl-2H-tetrazol-3-yl] ester Formula: C13H15N5S2 MolecularWeight: 305.4217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1N2C(=NNN2SC#N)C=S

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1N2C(=NNN2SC#N)C=S

InChI

InChI=1S/C13H15N5S2/c1-13(2,3)10-6-4-5-7-11(10)17-12(8-19)15-16-18(17)20-9-14/h4-8,16H,1-3H3