4-[bis(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(1,3-diethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(1,3-diethyl-4-hydroxy-6-oxo-2-thioxo-pyrimidin-5-yl)methyl]benzonitrile CAS Name: 4-[bis(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[bis(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]benzonitrile Traditional Name: 4-[bis(1,3-diethyl-4-hydroxy-6-keto-2-thioxo-pyrimidin-5-yl)methyl]benzonitrile Formula: C24H27N5O4S2 MolecularWeight: 513.63228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=S)CC)C(C2=CC=C(C=C2)C#N)C3=C(N(C(=S)N(C3=O)CC)CC)O)O

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=S)CC)C(C2=CC=C(C=C2)C#N)C3=C(N(C(=S)N(C3=O)CC)CC)O)O

InChI

InChI=1S/C24H27N5O4S2/c1-5-26-19(30)17(20(31)27(6-2)23(26)34)16(15-11-9-14(13-25)10-12-15)18-21(32)28(7-3)24(35)29(8-4)22(18)33/h9-12,16,30,32H,5-8H2,1-4H3