N-(1-adamantyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c1-12-19(25(27)28)13(2)24(23-12)10-17-6-18(29-11-17)20(26)22-21-7-14-3-15(8-21)5-16(4-14)9-21/h6,11,14-16H,3-5,7-10H2,1-2H3,(H,22,26)