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

Systemtic Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC#N)C2=CC=NC=C2

Isomeric SMILES

C=CCN1C(=NN=C1SCCC#N)C2=CC=NC=C2

InChI

InChI=1S/C13H13N5S/c1-2-9-18-12(11-4-7-15-8-5-11)16-17-13(18)19-10-3-6-14/h2,4-5,7-8H,1,3,9-10H2