N-(1-adamantylmethyl)-1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(2-chlorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(2-chlorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-(2-chlorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C25H28ClN3OS MolecularWeight: 454.02732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6Cl

InChI

InChI=1S/C25H28ClN3OS/c1-15-20-9-22(31-24(20)29(28-15)13-19-4-2-3-5-21(19)26)23(30)27-14-25-10-16-6-17(11-25)8-18(7-16)12-25/h2-5,9,16-18H,6-8,10-14H2,1H3,(H,27,30)