3-[3-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(2-methylquinazolin-4-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H18N4OS/c1-15-24-19-9-4-2-8-17(19)22(25-15)28-14-21(27)18-13-26(12-6-11-23)20-10-5-3-7-16(18)20/h2-5,7-10,13H,6,12,14H2,1H3