7-(2-azanylethylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carbonitrile

Systemtic Name: 7-(2-azanylethylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carbonitrile Openeye Name: 7-(2-aminoethylamino)-9,10,10-trioxo-thioxanthene-3-carbonitrile CAS Name: 7-(2-aminoethylamino)-9,10,10-trioxo-3-thioxanthenecarbonitrile IUPAC Name: 7-(2-aminoethylamino)-9,10,10-trioxothioxanthene-3-carbonitrile Traditional Name: 7-(2-aminoethylamino)-9,10,10-triketo-thioxanthene-3-carbonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)S(=O)(=O)C3=C(C2=O)C=C(C=C3)NCCN

Isomeric SMILES

C1=CC2=C(C=C1C#N)S(=O)(=O)C3=C(C2=O)C=C(C=C3)NCCN

InChI

InChI=1S/C16H13N3O3S/c17-5-6-19-11-2-4-14-13(8-11)16(20)12-3-1-10(9-18)7-15(12)23(14,21)22/h1-4,7-8,19H,5-6,17H2