[(7R)-6,6-dimethyl-4-oxidanylidene-1-phenyl-5,7-dihydroindazol-7-yl] thiocyanate

Systemtic Name: [(7R)-6,6-dimethyl-4-oxidanylidene-1-phenyl-5,7-dihydroindazol-7-yl] thiocyanate Openeye Name: [(7R)-6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl] thiocyanate CAS Name: thiocyanic acid [(7R)-6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl] ester IUPAC Name: [(7R)-6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl] thiocyanate Traditional Name: thiocyanic acid [(7R)-4-keto-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-7-yl] ester Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C1SC#N)N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C2=C([C@@H]1SC#N)N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H15N3OS/c1-16(2)8-13(20)12-9-18-19(11-6-4-3-5-7-11)14(12)15(16)21-10-17/h3-7,9,15H,8H2,1-2H3/t15-/m0/s1