3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile Openeye Name: 3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile CAS Name: 3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzonitrile IUPAC Name: 3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile Traditional Name: 3-nitro-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzonitrile Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O2S/c1-2-3-11-14-12(16-15-11)20-10-5-4-8(7-13)6-9(10)17(18)19/h4-6H,2-3H2,1H3,(H,14,15,16)