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

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C14H14N4S MolecularWeight: 270.35276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CC(C#N)SC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4S/c1-3-9-18-13(12-7-5-4-6-8-12)16-17-14(18)19-11(2)10-15/h3-8,11H,1,9H2,2H3