3-[3-[2-(tert-butylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(tert-butylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(tert-butylamino)thiazol-4-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(tert-butylamino)-4-thiazolyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(tert-butylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(tert-butylamino)thiazol-4-yl]indol-1-yl]propionitrile Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=CS1)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC(C)(C)NC1=NC(=CS1)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C18H20N4S/c1-18(2,3)21-17-20-15(12-23-17)14-11-22(10-6-9-19)16-8-5-4-7-13(14)16/h4-5,7-8,11-12H,6,10H2,1-3H3,(H,20,21)