[3-methyl-4-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl] ester Formula: C23H18N2O2S MolecularWeight: 386.46622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C23H18N2O2S/c1-15-12-16(28-14-24)10-11-20(15)25-23(26)13-19-17-6-2-4-8-21(17)27-22-9-5-3-7-18(19)22/h2-12,19H,13H2,1H3,(H,25,26)