[4-(1-ethyl-2-methyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl] thiocyanate

Systemtic Name: [4-(1-ethyl-2-methyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl] thiocyanate Openeye Name: [4-(1-ethyl-2-methyl-3-oxo-5-thioxo-1,2,4-triazolidin-4-yl)phenyl] thiocyanate CAS Name: thiocyanic acid [4-(1-ethyl-2-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl] ester IUPAC Name: [4-(1-ethyl-2-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(1-ethyl-3-keto-2-methyl-5-thioxo-1,2,4-triazolidin-4-yl)phenyl] ester Formula: C12H12N4OS2 MolecularWeight: 292.37988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)N(C(=O)N1C)C2=CC=C(C=C2)SC#N

Isomeric SMILES

CCN1C(=S)N(C(=O)N1C)C2=CC=C(C=C2)SC#N

InChI

InChI=1S/C12H12N4OS2/c1-3-15-12(18)16(11(17)14(15)2)9-4-6-10(7-5-9)19-8-13/h4-7H,3H2,1-2H3