[3-bromanyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(o-tolylmethylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(2-methylbenzyl)thio]acetyl]amino]phenyl] ester Formula: C17H15BrN2OS2 MolecularWeight: 407.3478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C17H15BrN2OS2/c1-12-4-2-3-5-13(12)9-22-10-17(21)20-16-7-6-14(23-11-19)8-15(16)18/h2-8H,9-10H2,1H3,(H,20,21)