5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C22H21N7OS MolecularWeight: 431.51344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CCOC)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CCOC)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N7OS/c1-16-19(14-23)20(29(27-16)18-6-4-3-5-7-18)15-31-22-26-25-21(28(22)12-13-30-2)17-8-10-24-11-9-17/h3-11H,12-13,15H2,1-2H3