N,N-bis(2-chloroethyl)-4-isothiocyanato-aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-isothiocyanato-aniline Openeye Name: N,N-bis(2-chloroethyl)-4-isothiocyanato-aniline CAS Name: N,N-bis(2-chloroethyl)-4-isothiocyanatoaniline IUPAC Name: N,N-bis(2-chloroethyl)-4-isothiocyanatoaniline Traditional Name: bis(2-chloroethyl)-(4-isothiocyanatophenyl)amine Formula: C11H12Cl2N2S MolecularWeight: 275.19738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1N=C=S)N(CCCl)CCCl

InChI

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