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

Systemtic Name: N-(1-adamantylmethyl)-4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantylmethyl)-4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C)Cl

InChI

InChI=1S/C22H28ClN3OS/c1-13-20(23)14(2)26(25-13)10-18-6-19(28-11-18)21(27)24-12-22-7-15-3-16(8-22)5-17(4-15)9-22/h6,11,15-17H,3-5,7-10,12H2,1-2H3,(H,24,27)