4-(9-oxidanylidenethioxanthen-2-yl)butanenitrile

Systemtic Name: 4-(9-oxidanylidenethioxanthen-2-yl)butanenitrile Openeye Name: 4-(9-oxothioxanthen-2-yl)butanenitrile CAS Name: 4-(9-oxo-2-thioxanthenyl)butanenitrile IUPAC Name: 4-(9-oxothioxanthen-2-yl)butanenitrile Traditional Name: 4-(9-ketothioxanthen-2-yl)butyronitrile Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)CCCC#N

InChI

InChI=1S/C17H13NOS/c18-10-4-3-5-12-8-9-16-14(11-12)17(19)13-6-1-2-7-15(13)20-16/h1-2,6-9,11H,3-5H2