2-[[5-(4-azanyl-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-azanyl-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-aminofurazan-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C13H11N7OS MolecularWeight: 313.33774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=NON=C3N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=NON=C3N

InChI

InChI=1S/C13H11N7OS/c1-20-12(10-11(15)19-21-18-10)16-17-13(20)22-7-9-5-3-2-4-8(9)6-14/h2-5H,7H2,1H3,(H2,15,19)