1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthene-4-carbonitrile

Systemtic Name: 1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthene-4-carbonitrile Openeye Name: 1-(2-diethylaminoethylamino)-9-oxo-thioxanthene-4-carbonitrile CAS Name: 1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenecarbonitrile IUPAC Name: 1-(2-diethylaminoethylamino)-9-oxothioxanthene-4-carbonitrile Traditional Name: 1-(2-diethylaminoethylamino)-9-keto-thioxanthene-4-carbonitrile Formula: C20H21N3OS MolecularWeight: 353.451304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C#N)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)[13C]#[15N])SC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3OS/c1-3-23(4-2)12-11-22-16-10-9-14(13-21)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,22H,3-4,11-12H2,1-2H3/i13+1,21+1