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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C16H17IN4OS MolecularWeight: 440.30185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1I)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=NN(C=C1I)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H17IN4OS/c1-10-13(17)9-21(20-10)7-6-15(22)19-16-12(8-18)11-4-2-3-5-14(11)23-16/h9H,2-7H2,1H3,(H,19,22)