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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-9(19-8-10(7-17-19)20(22)23)14(21)18-15-12(6-16)11-4-2-3-5-13(11)24-15/h7-9H,2-5H2,1H3,(H,18,21)