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

Systemtic Name: 4-[[5-(4-cyano-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[5-(4-cyano-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[[5-[(4-cyano-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[[5-(4-cyano-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[[5-[(4-cyano-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzonitrile Formula: C16H6N6O4S3 MolecularWeight: 442.45164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NN=C(S2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NN=C(S2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H6N6O4S3/c17-7-9-1-3-13(11(5-9)21(23)24)27-15-19-20-16(29-15)28-14-4-2-10(8-18)6-12(14)22(25)26/h1-6H