sodium (E)-[4-azanyl-5-(phenylcarbonyl)-2-sulfanylidene-thiophen-3-ylidene]-[(4-bromophenyl)amino]methanolate

Systemtic Name: sodium (E)-[4-azanyl-5-(phenylcarbonyl)-2-sulfanylidene-thiophen-3-ylidene]-[(4-bromophenyl)amino]methanolate Openeye Name: sodium (E)-(4-amino-5-benzoyl-2-thioxo-3-thienylidene)-(4-bromoanilino)methanolate CAS Name: sodium (E)-(4-amino-5-benzoyl-2-sulfanylidene-3-thiophenylidene)-(4-bromoanilino)methanolate IUPAC Name: sodium (E)-(4-amino-5-benzoyl-2-sulfanylidenethiophen-3-ylidene)-(4-bromoanilino)methanolate Traditional Name: sodium (E)-(4-amino-5-benzoyl-2-thioxo-3-thienylidene)-(4-bromoanilino)methanolate Formula: C18H12BrN2NaO2S2 MolecularWeight: 455.32385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=C(NC3=CC=C(C=C3)Br)[O-])C(=S)S2)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(/C(=C(/NC3=CC=C(C=C3)Br)\[O-])/C(=S)S2)N.[Na+]

InChI

InChI=1S/C18H13BrN2O2S2.Na/c19-11-6-8-12(9-7-11)21-17(23)13-14(20)16(25-18(13)24)15(22)10-4-2-1-3-5-10;/h1-9,21,23H,20H2;/q;+1/p-1/b17-13+;