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N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide

N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide

Systemtic Name:N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
Openeye Name:N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CAS Name:N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
IUPAC Name:N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
Traditional Name:N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
Formula: C18H10F3N3O3S
MolecularWeight: 405.35051
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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F


Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F


InChI

InChI=1S/C18H10F3N3O3S/c1-2-8-23-14-7-6-13(24(26)27)10-15(14)28-17(23)22-16(25)11-4-3-5-12(9-11)18(19,20)21/h1,3-7,9-10H,8H2


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