N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S/c1-12-10-16(23(25)26)21-22(12)9-5-8-17(24)20-18-14(11-19)13-6-3-2-4-7-15(13)27-18/h10H,2-9H2,1H3,(H,20,24)