2-phenylethynyl (1Z)-4-nitro-N-phenylazanyl-benzenecarboximidothioate

Systemtic Name: 2-phenylethynyl (1Z)-4-nitro-N-phenylazanyl-benzenecarboximidothioate Openeye Name: 2-phenylethynyl (1Z)-N-anilino-4-nitro-benzenecarboximidothioate CAS Name: (1Z)-N-anilino-4-nitrobenzenecarboximidothioic acid 2-phenylethynyl ester IUPAC Name: 2-phenylethynyl (1Z)-N-anilino-4-nitrobenzenecarboximidothioate Traditional Name: (1Z)-N-anilino-4-nitro-benzenecarboximidothioic acid 2-phenylethynyl ester Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CSC(=NNC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CS/C(=N\NC2=CC=CC=C2)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O2S/c25-24(26)20-13-11-18(12-14-20)21(23-22-19-9-5-2-6-10-19)27-16-15-17-7-3-1-4-8-17/h1-14,22H/b23-21-