2-(4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanenitrile

Systemtic Name: 2-(4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanenitrile Openeye Name: 2-(4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile CAS Name: 2-(4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetonitrile IUPAC Name: 2-(4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetonitrile Traditional Name: 2-(4-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetonitrile Formula: C10H7N5O2S MolecularWeight: 261.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C#N)SC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C#N)SC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C10H7N5O2S/c11-5-9(18-10-12-6-13-14-10)7-1-3-8(4-2-7)15(16)17/h1-4,6,9H,(H,12,13,14)