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

Systemtic Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-4-chloranyl-7-(trifluoromethyl)indol-3-yl]butan-1-amine Openeye Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-7-(trifluoromethyl)indol-3-yl]butan-1-amine CAS Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-7-(trifluoromethyl)-3-indolyl]-1-butanamine IUPAC Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-7-(trifluoromethyl)indol-3-yl]butan-1-amine Traditional Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-4-chloro-7-(trifluoromethyl)indol-3-yl]butylamine Formula: C20H17ClF3N3S MolecularWeight: 423.88229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3N3S/c21-13-9-8-12(20(22,23)24)18-16(13)11(5-3-4-10-25)17(27-18)19-26-14-6-1-2-7-15(14)28-19/h1-2,6-9,26H,3-5,10,25H2