4-azanyl-2-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C21H14FN5OS MolecularWeight: 403.432163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)C(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)C(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C21H14FN5OS/c22-14-7-5-12(6-8-14)19-18(15-3-1-2-4-16(15)26-19)17(28)11-29-21-25-10-13(9-23)20(24)27-21/h1-8,10,26H,11H2,(H2,24,25,27)