N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide

Systemtic Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]benzamide Openeye Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]benzamide CAS Name: N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]benzamide IUPAC Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide Traditional Name: N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]benzamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S/c24-17(14-5-2-1-3-6-14)22-21-12-13-7-8-16(15(11-13)23(25)26)27-18-19-9-4-10-20-18/h1-12H,(H,22,24)/b21-12+