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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(3-nitropyrazol-1-yl)propionamide Formula: C15H15N5O3S MolecularWeight: 345.3763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H15N5O3S/c16-9-11-10-3-1-2-4-12(10)24-15(11)17-14(21)6-8-19-7-5-13(18-19)20(22)23/h5,7H,1-4,6,8H2,(H,17,21)