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

Systemtic Name: 4-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C10H9N5S MolecularWeight: 231.27696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=CN2N)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=CN2N)C#N

InChI

InChI=1S/C10H9N5S/c11-5-8-1-3-9(4-2-8)6-16-10-14-13-7-15(10)12/h1-4,7H,6,12H2