N,N-bis(2-chloroethyl)-4-(2,4-dinitrophenyl)sulfanyl-aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-(2,4-dinitrophenyl)sulfanyl-aniline Openeye Name: N,N-bis(2-chloroethyl)-4-(2,4-dinitrophenyl)sulfanyl-aniline CAS Name: N,N-bis(2-chloroethyl)-4-[(2,4-dinitrophenyl)thio]aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-(2,4-dinitrophenyl)sulfanylaniline Traditional Name: bis(2-chloroethyl)-[4-[(2,4-dinitrophenyl)thio]phenyl]amine Formula: C16H15Cl2N3O4S MolecularWeight: 416.279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15Cl2N3O4S/c17-7-9-19(10-8-18)12-1-4-14(5-2-12)26-16-6-3-13(20(22)23)11-15(16)21(24)25/h1-6,11H,7-10H2