[3-bromanyl-4-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]phenyl] ester Formula: C17H15BrN2OS2 MolecularWeight: 407.3478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br)C

InChI

InChI=1S/C17H15BrN2OS2/c1-11-3-4-13(7-12(11)2)22-9-17(21)20-16-6-5-14(23-10-19)8-15(16)18/h3-8H,9H2,1-2H3,(H,20,21)