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

Systemtic Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide CAS Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide IUPAC Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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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/C18H12F3N3O3S/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/h2-7,9-10H,1,8H2