4-methyl-3-nitro-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]benzamide Openeye Name: 4-methyl-3-nitro-N-[(E)-[4-(thietan-3-yloxy)phenyl]methyleneamino]benzamide CAS Name: 4-methyl-3-nitro-N-[(E)-[4-(3-thietanyloxy)phenyl]methylideneamino]benzamide IUPAC Name: 4-methyl-3-nitro-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]benzamide Traditional Name: 4-methyl-3-nitro-N-[(E)-[4-(thietan-3-yloxy)benzylidene]amino]benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC3CSC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC3CSC3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-12-2-5-14(8-17(12)21(23)24)18(22)20-19-9-13-3-6-15(7-4-13)25-16-10-26-11-16/h2-9,16H,10-11H2,1H3,(H,20,22)/b19-9+