3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylthio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC3=CC=CO3)CCC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC3=CC=CO3)CCC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N7O2S/c1-15-18(12-23)19(29(27-15)16-6-3-2-4-7-16)14-32-22-26-25-21(10-9-20(24)30)28(22)13-17-8-5-11-31-17/h2-8,11H,9-10,13-14H2,1H3,(H2,24,30)