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

Systemtic Name: 3-methyl-5-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC(C)C)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC(C)C)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N7OS/c1-16(2)14-28-21(27-9-11-30-12-10-27)24-25-22(28)31-15-20-19(13-23)17(3)26-29(20)18-7-5-4-6-8-18/h4-8,16H,9-12,14-15H2,1-3H3