(3,5-dimethyl-4-oxidanyl-phenyl)-(3-isothiocyanatophenyl)methanone

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)-(3-isothiocyanatophenyl)methanone Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)-(3-isothiocyanatophenyl)methanone CAS Name: (4-hydroxy-3,5-dimethylphenyl)-(3-isothiocyanatophenyl)methanone IUPAC Name: (4-hydroxy-3,5-dimethylphenyl)-(3-isothiocyanatophenyl)methanone Traditional Name: (4-hydroxy-3,5-dimethyl-phenyl)-(3-isothiocyanatophenyl)methanone Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(=O)C2=CC(=CC=C2)N=C=S

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C(=O)C2=CC(=CC=C2)N=C=S

InChI

InChI=1S/C16H13NO2S/c1-10-6-13(7-11(2)15(10)18)16(19)12-4-3-5-14(8-12)17-9-20/h3-8,18H,1-2H3