[4-[bis(2-chloroethyl)amino]phenyl] thiocyanate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] thiocyanate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C11H12Cl2N2S MolecularWeight: 275.19738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)SC#N

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)SC#N

InChI

InChI=1S/C11H12Cl2N2S/c12-5-7-15(8-6-13)10-1-3-11(4-2-10)16-9-14/h1-4H,5-8H2