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

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C20H18F3N3S MolecularWeight: 389.43723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(N3)C=CC(=C4)C(F)(F)F)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(N3)C=CC(=C4)C(F)(F)F)CCCCN

InChI

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