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

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-nitro-benzonitrile Formula: C9H5N5O2S2 MolecularWeight: 279.2983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5N5O2S2/c10-4-5-1-2-7(6(3-5)14(15)16)17-9-13-12-8(11)18-9/h1-3H,(H2,11,12)