3-[3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H20N4O2S/c1-2-6-14-11-19(26)23-20(22-14)27-13-18(25)16-12-24(10-5-9-21)17-8-4-3-7-15(16)17/h3-4,7-8,11-12H,2,5-6,10,13H2,1H3,(H,22,23,26)