1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(3-pyrazol-1-ylpropyl)urea

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(3-pyrazol-1-ylpropyl)urea Openeye Name: 1-(3-pyrazol-1-ylpropyl)-3-thiochroman-4-yl-urea CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[3-(1-pyrazolyl)propyl]urea IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(3-pyrazol-1-ylpropyl)urea Traditional Name: 1-(3-pyrazol-1-ylpropyl)-3-thiochroman-4-yl-urea Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)NCCCN3C=CC=N3

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C16H20N4OS/c21-16(17-8-3-10-20-11-4-9-18-20)19-14-7-12-22-15-6-2-1-5-13(14)15/h1-2,4-6,9,11,14H,3,7-8,10,12H2,(H2,17,19,21)