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

Systemtic Name: 3-methyl-5-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C25H25N7OS MolecularWeight: 471.5773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)N5CCOCC5

InChI

InChI=1S/C25H25N7OS/c1-18-8-10-20(11-9-18)31-24(30-12-14-33-15-13-30)27-28-25(31)34-17-23-22(16-26)19(2)29-32(23)21-6-4-3-5-7-21/h3-11H,12-15,17H2,1-2H3