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

Systemtic Name: 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]benzonitrile Formula: C11H9N5OS MolecularWeight: 259.28706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H9N5OS/c12-5-7-1-3-8(4-2-7)9(17)6-18-11-14-10(13)15-16-11/h1-4H,6H2,(H3,13,14,15,16)