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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-amino-1H-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=C(C(=C1)CSC2=NNC(=N2)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NNC(=N2)N)C#N

InChI

InChI=1S/C10H9N5S/c11-5-7-3-1-2-4-8(7)6-16-10-13-9(12)14-15-10/h1-4H,6H2,(H3,12,13,14,15)