[1-(4-iodophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate

Systemtic Name: [1-(4-iodophenyl)-2,3-dimethyl-5-oxidanylidene-pyrazol-4-yl] thiocyanate Openeye Name: [1-(4-iodophenyl)-2,3-dimethyl-5-oxo-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [1-(4-iodophenyl)-2,3-dimethyl-5-oxo-4-pyrazolyl] ester IUPAC Name: [1-(4-iodophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [1-(4-iodophenyl)-5-keto-2,3-dimethyl-3-pyrazolin-4-yl] ester Formula: C12H10IN3OS MolecularWeight: 371.19677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)I)SC#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)I)SC#N

InChI

InChI=1S/C12H10IN3OS/c1-8-11(18-7-14)12(17)16(15(8)2)10-5-3-9(13)4-6-10/h3-6H,1-2H3