N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide CAS Name: N-[(E)-(5-nitro-2-furanyl)methylideneamino]-4-[(2-pyrimidinylthio)methyl]benzamide IUPAC Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-4-[(2-pyrimidylthio)methyl]benzamide Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S/c23-16(21-20-10-14-6-7-15(26-14)22(24)25)13-4-2-12(3-5-13)11-27-17-18-8-1-9-19-17/h1-10H,11H2,(H,21,23)/b20-10+