N-[bis(2-chloroethyl)amino-isothiocyanato-phosphoryl]-4-methyl-aniline

Systemtic Name: N-[bis(2-chloroethyl)amino-isothiocyanato-phosphoryl]-4-methyl-aniline Openeye Name: N-[bis(2-chloroethyl)amino-isothiocyanato-phosphoryl]-4-methyl-aniline CAS Name: N-[bis(2-chloroethyl)amino-isothiocyanatophosphoryl]-4-methylaniline IUPAC Name: N-[bis(2-chloroethyl)amino-isothiocyanatophosphoryl]-4-methylaniline Traditional Name: bis(2-chloroethyl)-[isothiocyanato(p-toluidino)phosphoryl]amine Formula: C12H16Cl2N3OPS MolecularWeight: 352.219701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NP(=O)(N=C=S)N(CCCl)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)NP(=O)(N=C=S)N(CCCl)CCCl

InChI

InChI=1S/C12H16Cl2N3OPS/c1-11-2-4-12(5-3-11)16-19(18,15-10-20)17(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,16,18)