7-[(4-fluorophenyl)methylsulfanyl]-2,3-dimethyl-1-prop-2-enyl-pyrrolo[2,3-d]pyridazine

Systemtic Name: 7-[(4-fluorophenyl)methylsulfanyl]-2,3-dimethyl-1-prop-2-enyl-pyrrolo[2,3-d]pyridazine Openeye Name: 1-allyl-7-[(4-fluorophenyl)methylsulfanyl]-2,3-dimethyl-pyrrolo[2,3-d]pyridazine CAS Name: 7-[(4-fluorophenyl)methylthio]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-d]pyridazine IUPAC Name: 7-[(4-fluorophenyl)methylsulfanyl]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-d]pyridazine Traditional Name: 1-allyl-7-[(4-fluorobenzyl)thio]-2,3-dimethyl-pyrrolo[2,3-d]pyridazine Formula: C18H18FN3S MolecularWeight: 327.419023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C(N=NC=C12)SCC3=CC=C(C=C3)F)CC=C)C

Isomeric SMILES

CC1=C(N(C2=C(N=NC=C12)SCC3=CC=C(C=C3)F)CC=C)C

InChI

InChI=1S/C18H18FN3S/c1-4-9-22-13(3)12(2)16-10-20-21-18(17(16)22)23-11-14-5-7-15(19)8-6-14/h4-8,10H,1,9,11H2,2-3H3