1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]urea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(6-pyrazol-1-yl-3-pyridyl)methyl]urea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-[(6-pyrazol-1-yl-3-pyridyl)methyl]urea Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC=C(C=C2)CNC(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(N=C1)C2=NC=C(C=C2)CNC(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN5OS/c19-15-3-5-16(6-4-15)26-11-9-20-18(25)22-13-14-2-7-17(21-12-14)24-10-1-8-23-24/h1-8,10,12H,9,11,13H2,(H2,20,22,25)