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

Systemtic Name: 2-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetonitrile Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC#N

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC#N

InChI

InChI=1S/C15H14N4O2S/c1-21-8-7-19-14(20)13-12(18-15(19)22-9-6-16)10-4-2-3-5-11(10)17-13/h2-5,17H,7-9H2,1H3