3-[3-[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]indol-1-yl]propionitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CN(C4=CC=CC=C43)CCC#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CN(C4=CC=CC=C43)CCC#N)OC

InChI

InChI=1S/C23H21N3O2S/c1-3-28-21-10-9-16(13-22(21)27-2)23-25-19(15-29-23)18-14-26(12-6-11-24)20-8-5-4-7-17(18)20/h4-5,7-10,13-15H,3,6,12H2,1-2H3