N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

Systemtic Name: N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine Openeye Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine CAS Name: N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]-1-[4-(methylthio)phenyl]ethanamine IUPAC Name: N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(4-methylsulfanylphenyl)ethanamine Traditional Name: (3-isopropyl-1-methyl-pyrazol-4-yl)methyl-[1-[4-(methylthio)phenyl]ethyl]amine Formula: C17H25N3S MolecularWeight: 303.4655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC(C)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC(C)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C17H25N3S/c1-12(2)17-15(11-20(4)19-17)10-18-13(3)14-6-8-16(21-5)9-7-14/h6-9,11-13,18H,10H2,1-5H3