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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3S/c16-7-12-11-3-1-2-4-13(11)24-15(12)18-14(21)5-6-19-9-10(8-17-19)20(22)23/h8-9H,1-6H2,(H,18,21)