2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H17ClN2O3S/c20-15-8-13(9-17-19(15)25-12-24-17)10-26-11-18(23)22-7-6-16(21-22)14-4-2-1-3-5-14/h1-5,8-9H,6-7,10-12H2