N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: N-[(1-methyl-3-propan-2-yl-pyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]thiochroman-4-amine CAS Name: N-[(1-methyl-3-propan-2-yl-4-pyrazolyl)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine IUPAC Name: N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Traditional Name: (3-isopropyl-1-methyl-pyrazol-4-yl)methyl-thiochroman-4-yl-amine Formula: C17H23N3S MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1CNC2CCSC3=CC=CC=C23)C

Isomeric SMILES

CC(C)C1=NN(C=C1CNC2CCSC3=CC=CC=C23)C

InChI

InChI=1S/C17H23N3S/c1-12(2)17-13(11-20(3)19-17)10-18-15-8-9-21-16-7-5-4-6-14(15)16/h4-7,11-12,15,18H,8-10H2,1-3H3