5-fluoranyl-4-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-2-propan-2-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 5-fluoranyl-4-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-2-propan-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 5-fluoro-2-isopropylsulfanyl-4-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile CAS Name: 5-fluoro-4-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-2-(propan-2-ylthio)benzonitrile IUPAC Name: 5-fluoro-4-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-2-propan-2-ylsulfanylbenzonitrile Traditional Name: 5-fluoro-2-(isopropylthio)-4-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)benzonitrile Formula: C18H20FN3S MolecularWeight: 329.434903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=NN1C3=C(C=C(C(=C3)SC(C)C)C#N)F

Isomeric SMILES

CC1=C2CCCCC2=NN1C3=C(C=C(C(=C3)SC(C)C)C#N)F

InChI

InChI=1S/C18H20FN3S/c1-11(2)23-18-9-17(15(19)8-13(18)10-20)22-12(3)14-6-4-5-7-16(14)21-22/h8-9,11H,4-7H2,1-3H3