5-[1-(1,2,4-triazol-4-yl)pent-3-ynylsulfinyl]benzene-1,3-dicarbonitrile

Systemtic Name: 5-[1-(1,2,4-triazol-4-yl)pent-3-ynylsulfinyl]benzene-1,3-dicarbonitrile Openeye Name: 5-[1-(1,2,4-triazol-4-yl)pent-3-ynylsulfinyl]benzene-1,3-dicarbonitrile CAS Name: 5-[1-(1,2,4-triazol-4-yl)pent-3-ynylsulfinyl]benzene-1,3-dicarbonitrile IUPAC Name: 5-[1-(1,2,4-triazol-4-yl)pent-3-ynylsulfinyl]benzene-1,3-dicarbonitrile Traditional Name: 5-[1-(1,2,4-triazol-4-yl)pent-3-ynylsulfinyl]isophthalonitrile Formula: C15H11N5OS MolecularWeight: 309.34574

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(N1C=NN=C1)S(=O)C2=CC(=CC(=C2)C#N)C#N

Isomeric SMILES

CC#CCC(N1C=NN=C1)S(=O)C2=CC(=CC(=C2)C#N)C#N

InChI

InChI=1S/C15H11N5OS/c1-2-3-4-15(20-10-18-19-11-20)22(21)14-6-12(8-16)5-13(7-14)9-17/h5-7,10-11,15H,4H2,1H3