4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-(trifluoromethyl)indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-(trifluoromethyl)indol-3-yl]butan-1-amine Openeye Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-(trifluoromethyl)indol-3-yl]butan-1-amine CAS Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-(trifluoromethyl)-3-indolyl]-1-butanamine IUPAC Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-(trifluoromethyl)indol-3-yl]butan-1-amine Traditional Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-7-(trifluoromethyl)indol-3-yl]butylamine Formula: C20H18F3N3S MolecularWeight: 389.43723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C(=C4C=CC=C(C4=N3)C(F)(F)F)CCCCN)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C(=C4C=CC=C(C4=N3)C(F)(F)F)CCCCN)S2

InChI

InChI=1S/C20H18F3N3S/c21-20(22,23)14-8-5-7-12-13(6-3-4-11-24)18(26-17(12)14)19-25-15-9-1-2-10-16(15)27-19/h1-2,5,7-10,25H,3-4,6,11,24H2