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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=NN(C=C1)C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H18N4OS/c1-10-7-8-20(19-10)11(2)15(21)18-16-13(9-17)12-5-3-4-6-14(12)22-16/h7-8,11H,3-6H2,1-2H3,(H,18,21)