4-(4-chlorophenyl)sulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole Openeye Name: 4-(4-chlorophenyl)sulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole CAS Name: 4-[(4-chlorophenyl)thio]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole IUPAC Name: 4-(4-chlorophenyl)sulfanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole Traditional Name: 4-[(4-chlorophenyl)thio]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)