N5-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-N3,N3-diethyl-1-methyl-pyrazole-3,5-dicarboxamide

Systemtic Name: N5-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-N3,N3-diethyl-1-methyl-pyrazole-3,5-dicarboxamide Openeye Name: N5-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-N3,N3-diethyl-1-methyl-pyrazole-3,5-dicarboxamide CAS Name: N5-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-N3,N3-diethyl-1-methylpyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide Traditional Name: N'-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-N,N-diethyl-1-methyl-pyrazole-3,5-dicarboxamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C#N)C

InChI

InChI=1S/C20H25N5O2S/c1-5-25(6-2)20(27)15-10-16(24(4)23-15)18(26)22-19-14(11-21)13-8-7-12(3)9-17(13)28-19/h10,12H,5-9H2,1-4H3,(H,22,26)/t12-/m1/s1