[[10,10-bis(oxidanylidene)thioxanthen-9-ylidene]amino] 4-cyanobenzoate

Systemtic Name: [[10,10-bis(oxidanylidene)thioxanthen-9-ylidene]amino] 4-cyanobenzoate Openeye Name: [(10,10-dioxothioxanthen-9-ylidene)amino] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(10,10-dioxo-9-thioxanthenylidene)amino] ester IUPAC Name: [(10,10-dioxothioxanthen-9-ylidene)amino] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(10,10-diketothioxanthen-9-ylidene)amino] ester Formula: C21H12N2O4S MolecularWeight: 388.39598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NOC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4S2(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NOC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4S2(=O)=O

InChI

InChI=1S/C21H12N2O4S/c22-13-14-9-11-15(12-10-14)21(24)27-23-20-16-5-1-3-7-18(16)28(25,26)19-8-4-2-6-17(19)20/h1-12H