N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-methylsulfanylaniline Traditional Name: (3-isopropyl-1-methyl-pyrazol-4-yl)methyl-[3-(methylthio)phenyl]amine Formula: C15H21N3S MolecularWeight: 275.41234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC2=CC(=CC=C2)SC)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C15H21N3S/c1-11(2)15-12(10-18(3)17-15)9-16-13-6-5-7-14(8-13)19-4/h5-8,10-11,16H,9H2,1-4H3