[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] thiocyanate

Systemtic Name: [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] thiocyanate Openeye Name: [2-(3,5-dimethylisoxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] thiocyanate CAS Name: thiocyanic acid [2-(3,5-dimethyl-4-isoxazolyl)-1-(4-hydroxyphenyl)-3-indolyl] ester IUPAC Name: [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] thiocyanate Traditional Name: thiocyanic acid [2-(3,5-dimethylisoxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2=C(C3=CC=CC=C3N2C4=CC=C(C=C4)O)SC#N

Isomeric SMILES

CC1=C(C(=NO1)C)C2=C(C3=CC=CC=C3N2C4=CC=C(C=C4)O)SC#N

InChI

InChI=1S/C20H15N3O2S/c1-12-18(13(2)25-22-12)19-20(26-11-21)16-5-3-4-6-17(16)23(19)14-7-9-15(24)10-8-14/h3-10,24H,1-2H3