N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide

Systemtic Name: N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-4-[(phenylmethylsulfanyl)methyl]benzamide Openeye Name: 4-(benzylsulfanylmethyl)-N-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]benzamide CAS Name: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4-[(phenylmethylthio)methyl]benzamide IUPAC Name: 4-(benzylsulfanylmethyl)-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]benzamide Traditional Name: 4-[(benzylthio)methyl]-N-[(E)-(2-chloro-5-nitro-benzylidene)amino]benzamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H18ClN3O3S/c23-21-11-10-20(26(28)29)12-19(21)13-24-25-22(27)18-8-6-17(7-9-18)15-30-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,27)/b24-13+