4-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-[[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)S[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H16N4O2S/c1-13-16(11-23)21(26-22(28)25-13)29-20(14-7-3-2-4-8-14)19(27)17-12-24-18-10-6-5-9-15(17)18/h2-10,12,20,24H,1H3,(H,25,26,28)/t20-/m1/s1