3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CO3

InChI

InChI=1S/C17H14N4OS/c1-2-8-21-16(15-7-4-9-22-15)19-20-17(21)23-12-14-6-3-5-13(10-14)11-18/h2-7,9-10H,1,8,12H2