N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(5-chloranylthiophen-2-yl)ethanamine

Systemtic Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(5-chloranylthiophen-2-yl)ethanamine Openeye Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(5-chloro-2-thienyl)ethanamine CAS Name: N-[(1-tert-butyl-4-pyrazolyl)methyl]-1-(5-chloro-2-thiophenyl)ethanamine IUPAC Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine Traditional Name: (1-tert-butylpyrazol-4-yl)methyl-[1-(5-chloro-2-thienyl)ethyl]amine Formula: C14H20ClN3S MolecularWeight: 297.8467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)Cl)NCC2=CN(N=C2)C(C)(C)C

Isomeric SMILES

CC(C1=CC=C(S1)Cl)NCC2=CN(N=C2)C(C)(C)C

InChI

InChI=1S/C14H20ClN3S/c1-10(12-5-6-13(15)19-12)16-7-11-8-17-18(9-11)14(2,3)4/h5-6,8-10,16H,7H2,1-4H3