2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetonitrile IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetonitrile Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC#N

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC#N

InChI

InChI=1S/C14H12N4OS/c1-2-18-13(19)12-11(17-14(18)20-8-7-15)9-5-3-4-6-10(9)16-12/h3-6,16H,2,8H2,1H3