4-cyano-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-cyano-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-cyano-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-cyano-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-cyano-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-cyano-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N4O3S/c1-2-9-21-15-8-7-14(22(24)25)10-16(15)26-18(21)20-17(23)13-5-3-12(11-19)4-6-13/h3-8,10H,2,9H2,1H3