3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCC#N

InChI

InChI=1S/C11H10N4S/c12-7-4-8-16-11-13-10(14-15-11)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H,13,14,15)