4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propyl-furan-2-carbonitrile

Systemtic Name: 4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propyl-furan-2-carbonitrile Openeye Name: 4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propyl-furan-2-carbonitrile CAS Name: 4-[[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-propyl-2-furancarbonitrile IUPAC Name: 4-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-propylfuran-2-carbonitrile Traditional Name: 4-[[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-propyl-2-furonitrile Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4=NNC(=C4)C

Isomeric SMILES

CCCC1=C(C=C(O1)C#N)CSC2=NN=C(N2C3=CC=CC=C3)C4=NNC(=C4)C

InChI

InChI=1S/C21H20N6OS/c1-3-7-19-15(11-17(12-22)28-19)13-29-21-26-25-20(18-10-14(2)23-24-18)27(21)16-8-5-4-6-9-16/h4-6,8-11H,3,7,13H2,1-2H3,(H,23,24)