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

Systemtic Name: [3,5-dimethyl-4-(2-naphthalen-2-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-(2-naphthylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-naphthalen-2-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[2-(2-naphthylthio)acetyl]amino]phenyl] ester Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=CC3=CC=CC=C3C=C2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=CC3=CC=CC=C3C=C2)C)SC#N

InChI

InChI=1S/C21H18N2OS2/c1-14-9-19(26-13-22)10-15(2)21(14)23-20(24)12-25-18-8-7-16-5-3-4-6-17(16)11-18/h3-11H,12H2,1-2H3,(H,23,24)