4-[2-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-7-(trifluoromethyl)indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-5-chloranyl-7-(trifluoromethyl)indol-3-yl]butan-1-amine Openeye Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-7-(trifluoromethyl)indol-3-yl]butan-1-amine CAS Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-7-(trifluoromethyl)-3-indolyl]-1-butanamine IUPAC Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-5-chloro-7-(trifluoromethyl)indol-3-yl]butan-1-amine Traditional Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-5-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=C(C=C(C4=N3)C(F)(F)F)Cl)CCCCN)S2

Isomeric SMILES

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

InChI

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