N-(5-ethylsulfanyl-3-propyl-1,3,4-thiadiazol-2-ylidene)-4-nitro-benzamide

Systemtic Name: N-(5-ethylsulfanyl-3-propyl-1,3,4-thiadiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-3-propyl-1,3,4-thiadiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-[5-(ethylthio)-3-propyl-1,3,4-thiadiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-3-propyl-1,3,4-thiadiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-[5-(ethylthio)-3-propyl-1,3,4-thiadiazol-2-ylidene]-4-nitro-benzamide Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(=N1)SCC

Isomeric SMILES

CCCN1C(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC(=N1)SCC

InChI

InChI=1S/C14H16N4O3S2/c1-3-9-17-13(23-14(16-17)22-4-2)15-12(19)10-5-7-11(8-6-10)18(20)21/h5-8H,3-4,9H2,1-2H3