N-(1-adamantylmethyl)-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-[(4-chloranylpyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantylmethyl)-4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C20H24ClN3OS MolecularWeight: 389.94206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=CS4)CN5C=C(C=N5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=CS4)CN5C=C(C=N5)Cl

InChI

InChI=1S/C20H24ClN3OS/c21-17-8-23-24(10-17)9-16-4-18(26-11-16)19(25)22-12-20-5-13-1-14(6-20)3-15(2-13)7-20/h4,8,10-11,13-15H,1-3,5-7,9,12H2,(H,22,25)