phenyl 3,4,4-tris(chloranyl)-2-nitro-N-(phenylmethyl)but-3-enimidothioate

Systemtic Name: phenyl 3,4,4-tris(chloranyl)-2-nitro-N-(phenylmethyl)but-3-enimidothioate Openeye Name: phenyl N-benzyl-3,4,4-trichloro-2-nitro-but-3-enimidothioate CAS Name: 3,4,4-trichloro-2-nitro-N-(phenylmethyl)-3-butenimidothioic acid phenyl ester IUPAC Name: phenyl N-benzyl-3,4,4-trichloro-2-nitrobut-3-enimidothioate Traditional Name: N-benzyl-3,4,4-trichloro-2-nitro-but-3-enimidothioic acid phenyl ester Formula: C17H13Cl3N2O2S MolecularWeight: 415.72132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C(C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CN=C(C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C17H13Cl3N2O2S/c18-14(16(19)20)15(22(23)24)17(25-13-9-5-2-6-10-13)21-11-12-7-3-1-4-8-12/h1-10,15H,11H2