[4-[[5-(1-adamantyl)-2-methyl-furan-3-yl]carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[[5-(1-adamantyl)-2-methyl-furan-3-yl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[[5-(1-adamantyl)-2-methyl-furan-3-carbonyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[5-(1-adamantyl)-2-methyl-3-furanyl]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[5-(1-adamantyl)-2-methylfuran-3-carbonyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[5-(1-adamantyl)-2-methyl-3-furoyl]amino]phenyl] ester Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=C(C=C5)SC#N

Isomeric SMILES

CC1=C(C=C(O1)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=C(C=C5)SC#N

InChI

InChI=1S/C23H24N2O2S/c1-14-20(22(26)25-18-2-4-19(5-3-18)28-13-24)9-21(27-14)23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,9,15-17H,6-8,10-12H2,1H3,(H,25,26)