2-[(4-oxidanylidene-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-oxidanylidene-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-oxo-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-oxo-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C20H14N4OS MolecularWeight: 358.41636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CNC3=C2N=C(N(C3=O)C4=CC=CC=C4)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CNC3=C2N=C(N(C3=O)C4=CC=CC=C4)SCC#N

InChI

InChI=1S/C20H14N4OS/c21-11-12-26-20-23-17-16(14-7-3-1-4-8-14)13-22-18(17)19(25)24(20)15-9-5-2-6-10-15/h1-10,13,22H,12H2