2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN(C=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C#N)SC1=NN(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N4S/c1-9(7-12)16-11-13-8-15(14-11)10-5-3-2-4-6-10/h2-6,8-9H,1H3