sodium (E)-(2-oxidanylidene-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanethiolate

Systemtic Name: sodium (E)-(2-oxidanylidene-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanethiolate Openeye Name: sodium (E)-(2-oxo-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanethiolate CAS Name: sodium (E)-(2-oxo-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanethiolate IUPAC Name: sodium (E)-(2-oxo-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanethiolate Traditional Name: sodium (E)-(2-keto-5-phenyl-4H-1,4-benzodiazepin-3-ylidene)methanethiolate Formula: C16H11N2NaOS MolecularWeight: 302.32611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=C[S-])N2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)/C(=C\[S-])/N2.[Na+]

InChI

InChI=1S/C16H12N2OS.Na/c19-16-14(10-20)17-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-16;/h1-10,17,20H;/q;+1/p-1/b14-10+;