[2,3-bis(chloranyl)-4-(3-methylbutanoylamino)phenyl] thiocyanate

Systemtic Name: [2,3-bis(chloranyl)-4-(3-methylbutanoylamino)phenyl] thiocyanate Openeye Name: [2,3-dichloro-4-(3-methylbutanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [2,3-dichloro-4-[(3-methyl-1-oxobutyl)amino]phenyl] ester IUPAC Name: [2,3-dichloro-4-(3-methylbutanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [2,3-dichloro-4-(isovalerylamino)phenyl] ester Formula: C12H12Cl2N2OS MolecularWeight: 303.20748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=C(C=C1)SC#N)Cl)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=C(C=C1)SC#N)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2OS/c1-7(2)5-10(17)16-8-3-4-9(18-6-15)12(14)11(8)13/h3-4,7H,5H2,1-2H3,(H,16,17)