[3,5-dimethyl-4-(2-quinolin-2-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-(2-quinolin-2-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(2-quinolylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-quinolin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(2-quinolylthio)acetyl]amino]phenyl] ester Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C=C2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3C=C2)C)SC#N

InChI

InChI=1S/C20H17N3OS2/c1-13-9-16(26-12-21)10-14(2)20(13)23-18(24)11-25-19-8-7-15-5-3-4-6-17(15)22-19/h3-10H,11H2,1-2H3,(H,23,24)