N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methylpyrazol-1-yl)propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methylpyrazol-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(5-methylpyrazol-1-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(5-methylpyrazol-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(5-methylpyrazol-1-yl)propionamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC=NN1CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H18N4OS/c1-11-6-8-18-20(11)9-7-15(21)19-16-13(10-17)12-4-2-3-5-14(12)22-16/h6,8H,2-5,7,9H2,1H3,(H,19,21)