N-(2-cyano-4-nitro-phenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C17H12N6O3S2 MolecularWeight: 412.44558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H12N6O3S2/c18-9-11-8-13(23(25)26)6-7-14(11)20-15(24)10-27-17-22-21-16(28-17)19-12-4-2-1-3-5-12/h1-8H,10H2,(H,19,21)(H,20,24)