2-[[5-(4-azanyl-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-azanyl-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-aminofurazan-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H9N7OS MolecularWeight: 299.31116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=NON=C3N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=NON=C3N

InChI

InChI=1S/C12H9N7OS/c13-6-7-21-12-16-15-11(9-10(14)18-20-17-9)19(12)8-4-2-1-3-5-8/h1-5H,7H2,(H2,14,18)