3-[(3R)-1-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazolidin-4-yl]propanenitrile

Systemtic Name: 3-[(3R)-1-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazolidin-4-yl]propanenitrile Openeye Name: 3-[(3R)-1-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazolidin-4-yl]propanenitrile CAS Name: 3-[(3R)-1-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazolidin-4-yl]propanenitrile IUPAC Name: 3-[(3R)-1-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazolidin-4-yl]propanenitrile Traditional Name: 3-[(3R)-1-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazolidin-4-yl]propionitrile Formula: C13H15N5S MolecularWeight: 273.3567

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=S)N(C(N1)C2=CN=CC=C2)CCC#N

Isomeric SMILES

C=CCN1C(=S)N([C@H](N1)C2=CN=CC=C2)CCC#N

InChI

InChI=1S/C13H15N5S/c1-2-8-18-13(19)17(9-4-6-14)12(16-18)11-5-3-7-15-10-11/h2-3,5,7,10,12,16H,1,4,8-9H2/t12-/m0/s1