2-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazol-5-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-methyl-1-(2-methylpropyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-isobutyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H25N5O3S2 MolecularWeight: 471.5956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)CC(C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)CC(C)C

InChI

InChI=1S/C22H25N5O3S2/c1-15(2)14-27-22-18(16(3)24-27)12-19(31-22)21(28)25-8-10-26(11-9-25)32(29,30)20-7-5-4-6-17(20)13-23/h4-7,12,15H,8-11,14H2,1-3H3